├── .gitignore ├── .travis.yml ├── CMakeLists.txt ├── License.txt ├── Manual ├── AAA_INSTALL_DISCUS_CYGWIN.pdf ├── AAA_INSTALL_DISCUS_LINUX.pdf ├── AAA_INSTALL_DISCUS_MACOS.pdf ├── AAA_INSTALL_DISCUS_WINDOWS_WSL.pdf ├── diffev_man.pdf ├── discus_man.pdf ├── experi_man.pdf ├── kuplot_man.pdf ├── mixscat_man.pdf ├── package_man.pdf ├── refine_man.pdf └── suite_man.pdf ├── README.md ├── cmake ├── DefaultSearchPaths.cmake ├── FindCython.cmake ├── FindF2PY.cmake ├── FindFFTW.cmake ├── FindFINUFFT.cmake ├── FindHDF5.cmake ├── FindNEXUS.cmake ├── FindNumPy.cmake ├── FindPGPLOT.cmake ├── FindPythonExtensions.cmake ├── FindReadline.cmake ├── LICENSE_FFTW.txt ├── UseCython.cmake ├── UseF2PY.cmake ├── UseF2Py.cmake.orig ├── UsePythonExtensions.cmake ├── h5fortran-targets-noconfig.cmake ├── h5fortran-targets.cmake ├── h5fortranConfig.cmake ├── h5fortranConfigVersion.cmake └── targetLinkLibrariesWithDynamicLookup.cmake ├── create_h5fortran.sh ├── diffev ├── examples │ ├── arctan │ │ ├── DATA │ │ │ ├── data.noisy │ │ │ ├── data.values │ │ │ ├── data.values.250 │ │ │ └── makedata.mac │ │ ├── README │ │ ├── REPEAT │ │ ├── arctan.f │ │ ├── arctan.mac │ │ ├── clean │ │ ├── diffev.mac │ │ ├── diffev_continue.mac │ │ ├── diffev_setup.mac │ │ ├── fit.mac │ │ ├── kcompare.mac │ │ ├── kdraw.mac │ │ ├── kpar_par.mac │ │ ├── kpar_par_90.mac │ │ ├── kpara.mac │ │ ├── kpara_90.mac │ │ ├── krval_par.mac │ │ ├── kuplot.mac │ │ ├── loop.mac │ │ ├── main.mac │ │ ├── second.mac │ │ └── wdiffev.mac │ └── parabola │ │ ├── DATA │ │ └── funktion.data │ │ ├── cleanup.mac │ │ ├── diffev.mac │ │ ├── diffev_increase.mac │ │ ├── diffev_increase_cube.mac │ │ ├── diffev_run.mac │ │ ├── diffev_setup.mac │ │ ├── function │ │ ├── function.f90 │ │ ├── kpar_par.mac │ │ ├── kpara.mac │ │ ├── ksingle.mac │ │ ├── kup.backup.mac │ │ ├── kup.select.mac │ │ ├── kup_diffev.mac │ │ └── make_func.mac └── prog │ ├── CMakeLists.txt │ ├── appl_dif.hlp │ ├── compare.f90 │ ├── constraint.f90 │ ├── create_trial.f90 │ ├── diff_evol.f90 │ ├── diffev.f90 │ ├── diffev_add_param.f90 │ ├── diffev_allocate_appl.f90 │ ├── diffev_blk_appl.f90 │ ├── diffev_branch.f90 │ ├── diffev_config.f90 │ ├── diffev_distrib_mod.f90 │ ├── diffev_do_exit.f90 │ ├── diffev_err_appl.f90 │ ├── diffev_execute_cost.f90 │ ├── diffev_kdo.f90 │ ├── diffev_load.f90 │ ├── diffev_loop.f90 │ ├── diffev_loop_mpi.f90 │ ├── diffev_py.f90 │ ├── diffev_random.f90 │ ├── diffev_refine.f90 │ ├── diffev_release.f90 │ ├── diffev_reset.f90 │ ├── diffev_set_cost.f90 │ ├── diffev_set_gen.f90 │ ├── diffev_set_sub.f90 │ ├── diffev_setup.f90 │ ├── diffev_show.f90 │ ├── diffev_upd_par.f90 │ ├── initialise.f90 │ ├── no_mpi.f90 │ ├── population.f90 │ ├── run_mpi_mod.f90 │ ├── support_diffev_mod.f90 │ ├── sysmac │ ├── modify_trial.mac │ └── systest.mac │ ├── triple_perm.f90 │ └── with_mpi.f90 ├── discus └── prog │ ├── CMakeLists.txt │ ├── appl_dis.hlp │ ├── atom_env_mod.f90 │ ├── atom_line.f90 │ ├── atom_name.f90 │ ├── bv_data_mod.f90 │ ├── celltoindex.f90 │ ├── check_blen_mod.f90 │ ├── check_bound_mod.f90 │ ├── check_user_prop_mod.f90 │ ├── chem.f90 │ ├── chem_aver_mod.f90 │ ├── chem_mod.f90 │ ├── chem_multi.f90 │ ├── chem_neig_multi.f90 │ ├── chem_symm_mod.f90 │ ├── class_atom.f90 │ ├── class_crystal.f90 │ ├── class_dc_def.f90 │ ├── class_internal.f90 │ ├── color.map │ ├── conn_def_mod.f90 │ ├── conn_mod.f90 │ ├── conn_sup_mod.f90 │ ├── conn_type_mod.f90 │ ├── crystal_mod.f90 │ ├── debye_mod.f90 │ ├── deco_mod.f90 │ ├── demolec.f90 │ ├── demolec_mod.f90 │ ├── diffuse_mod.f90 │ ├── discus.f90 │ ├── discus_3dpdf.f90 │ ├── discus_allocate_appl_mod.f90 │ ├── discus_blk_appl.f90 │ ├── discus_bragg.f90 │ ├── discus_branch.f90 │ ├── discus_build_molecule.f90 │ ├── discus_config_mod.f90 │ ├── discus_crystal.f90 │ ├── discus_discamb.f90 │ ├── discus_err_appl.f90 │ ├── discus_estimate.f90 │ ├── discus_exit.f90 │ ├── discus_exp2pdf.f90 │ ├── discus_exp2pdf_data.f90 │ ├── discus_exp2pdf_load.f90 │ ├── discus_exp2pdf_run.f90 │ ├── discus_exp2pdf_supp.f90 │ ├── discus_export.f90 │ ├── discus_fft.f90 │ ├── discus_fit.f90 │ ├── discus_guess_atoms.f90 │ ├── discus_kdo.f90 │ ├── discus_kdo_common.f90 │ ├── discus_loop.f90 │ ├── discus_mrc.f90 │ ├── discus_nexus.f90 │ ├── discus_nexus_no.f90 │ ├── discus_nipl_header.f90 │ ├── discus_out_file.f90 │ ├── discus_pdf_file.f90 │ ├── discus_plot.f90 │ ├── discus_plot_export.f90 │ ├── discus_plot_init.f90 │ ├── discus_plot_mod.f90 │ ├── discus_pointgrp.f90 │ ├── discus_powder_fft.f90 │ ├── discus_powder_file.f90 │ ├── discus_prep_anis.f90 │ ├── discus_prepare_refine.f90 │ ├── discus_py.f90 │ ├── discus_reduce.f90 │ ├── discus_reset_all.f90 │ ├── discus_s_out_file.f90 │ ├── discus_s_pdf_file.f90 │ ├── discus_s_powder_file.f90 │ ├── discus_save.f90 │ ├── discus_save_mod.f90 │ ├── discus_save_temp.f90 │ ├── discus_set_sub.f90 │ ├── discus_setup.f90 │ ├── discus_show.f90 │ ├── discus_super_func.f90 │ ├── discus_super_mod.f90 │ ├── discus_super_waves.f90 │ ├── discus_symmetrize.f90 │ ├── discus_trans_to_short.f90 │ ├── discus_upd_par.f90 │ ├── discus_xplor.f90 │ ├── do_find_mod.f90 │ ├── domain.f90 │ ├── domain_irreg_mod.f90 │ ├── domain_mod.f90 │ ├── domaindis_mod.f90 │ ├── external.f90 │ ├── external_mod.f90 │ ├── extrmc.f90 │ ├── find_top.f90 │ ├── four_angles_mod.f90 │ ├── four_strucf_OMP_mod.f90 │ ├── four_strucf_cuda.cu │ ├── four_strucf_cuda_mod.f90 │ ├── four_strucf_mod.f90 │ ├── fourier.f90 │ ├── fourier_conv.f90 │ ├── fourier_finufft.f90 │ ├── fourier_form.f90 │ ├── fourier_lmn_mod.f90 │ ├── fourier_reset.f90 │ ├── fourier_sup.f90 │ ├── gen_add_mod.f90 │ ├── generate_mod.f90 │ ├── get_iscat_mod.f90 │ ├── graphic.f90 │ ├── hdf_write.f90 │ ├── hdf_write_no.f90 │ ├── insert.f90 │ ├── insert_mod.f90 │ ├── intens_mod.f90 │ ├── inter_readstru.f90 │ ├── interpret.f90 │ ├── inverse_mod.f90 │ ├── mc_mod.f90 │ ├── metric.f90 │ ├── micro_mod.f90 │ ├── mmc.f90 │ ├── mmc_basic.f90 │ ├── mmc_mod.f90 │ ├── mmc_mole.f90 │ ├── modify_func_mod.f90 │ ├── modify_mod.f90 │ ├── mole_env_mod.f90 │ ├── molecule_alloc.f90 │ ├── molecule_func.f90 │ ├── molecule_mod.f90 │ ├── output_mod.f90 │ ├── patters.f90 │ ├── patters_mod.f90 │ ├── pdf.f90 │ ├── pdf_mod.f90 │ ├── perioditize.f90 │ ├── phases_mod.f90 │ ├── phases_set_form.f90 │ ├── phases_set_mod.f90 │ ├── phases_stack.f90 │ ├── place_molecule.f90 │ ├── pname.inc │ ├── powder.f90 │ ├── powder_mod.f90 │ ├── powder_out_partial.f90 │ ├── powder_pdf_hist.f90 │ ├── powder_scat_mod.f90 │ ├── powder_tables.f90 │ ├── powder_write_mod.f90 │ ├── private.f90 │ ├── prop_char_mod.f90 │ ├── prop_para_func.f90 │ ├── prop_para_mod.f90 │ ├── quad.f90 │ ├── qval.f90 │ ├── read_internal_mod.f90 │ ├── recipro_mod.f90 │ ├── refine_mod.f90 │ ├── rmc.f90 │ ├── rmc_mod.f90 │ ├── rmc_sup_mod.f90 │ ├── rmc_symm.f90 │ ├── shear.f90 │ ├── shear_mod.f90 │ ├── spcgr_apply.f90 │ ├── spcgr_mod.f90 │ ├── spcgr_setup.f90 │ ├── stack.f90 │ ├── stack_cr_mod.f90 │ ├── stack_mod.f90 │ ├── stack_rese.f90 │ ├── storage.f90 │ ├── structur.f90 │ ├── surface_func_mod.f90 │ ├── surface_mod.f90 │ ├── sym_add_mod.f90 │ ├── symm.f90 │ ├── symm_mod.f90 │ ├── symm_sup.f90 │ ├── sysmac │ └── systest.mac │ ├── tensors.f90 │ ├── thermal.f90 │ ├── trafo.f90 │ ├── trans_cart_mod.f90 │ ├── trans_sup.f90 │ ├── transfrm.f90 │ ├── transfrm_mod.f90 │ ├── unitcell_mod.f90 │ ├── update_cr_dim.f90 │ ├── utilities.f90 │ ├── vtk_mod.f90 │ ├── waves.f90 │ ├── waves_mod.f90 │ ├── wyckoff_mod.f90 │ └── zone.f90 ├── experi └── prog │ ├── CMakeLists.txt │ ├── appl_exp.hlp │ ├── experi_kdo.f90 │ ├── experi_loop.f90 │ ├── experi_reset.f90 │ ├── experi_setup.f90 │ └── experi_setup_sub.f90 ├── finufft ├── AAA.README ├── CMakeLists.txt ├── LICENSE ├── contrib │ ├── legendre_rule_fast.cpp │ ├── legendre_rule_fast.h │ ├── legendre_rule_fast.license │ └── legendre_rule_fast.o ├── fortran │ ├── README │ ├── cmcl_license.txt │ └── finufftfort.cpp ├── include │ ├── finufft.fh │ ├── finufft.h │ ├── finufft │ │ ├── defs.h │ │ ├── dirft.h │ │ ├── fft.h │ │ ├── fftw_defs.h │ │ ├── finufft_eitherprec.h │ │ ├── spreadinterp.h │ │ ├── test_defs.h │ │ ├── utils.h │ │ └── utils_precindep.h │ ├── finufft_eitherprec.h │ ├── finufft_errors.h │ ├── finufft_mod.f90 │ ├── finufft_opts.h │ └── finufft_spread_opts.h └── src │ ├── fft.cpp │ ├── finufft.cpp │ ├── ker_horner_allw_loop.c │ ├── ker_horner_allw_loop_constexpr.h │ ├── ker_lowupsampfac_horner_allw_loop.c │ ├── ker_lowupsampfac_horner_allw_loop_constexpr.h │ ├── simpleinterfaces.cpp │ ├── spreadinterp.cpp │ ├── utils.cpp │ └── utils_precindep.cpp ├── h5fortran-main.zip ├── h5fortran ├── CMakeLists.txt ├── LICENSE ├── attr.f90 ├── attr_read.f90 ├── attr_read.inc ├── attr_write.f90 ├── attr_write.inc ├── datatype.f90 ├── deflate.f90 ├── interface.f90 ├── read.f90 ├── read_ascii.f90 ├── read_char.inc ├── read_fixed.inc ├── read_scalar.f90 ├── read_vlen.inc ├── reader.f90 ├── reader.inc ├── reader_lt.f90 ├── reader_lt.inc ├── utils.f90 ├── write.f90 ├── write_scalar.f90 ├── writer.f90 ├── writer.inc ├── writer_lt.f90 └── writer_lt.inc ├── kuplot └── prog │ ├── CMakeLists.txt │ ├── appl_kup.dic │ ├── appl_kup.hlp │ ├── calc.f90 │ ├── color.f90 │ ├── color.map │ ├── draw.f90 │ ├── fit.f90 │ ├── fit_mache_kdo.f90 │ ├── fit_macro.f90 │ ├── fit_params_mod.f90 │ ├── fit_set_sub_mod.f90 │ ├── fit_top.f90 │ ├── frame.f90 │ ├── gsas.f90 │ ├── init_win.f90 │ ├── init_x11.f90 │ ├── koordinate_mod.f90 │ ├── kuplot.f90 │ ├── kuplot_2dmap.f90 │ ├── kuplot_2dmap_mod.f90 │ ├── kuplot_3dmap.f90 │ ├── kuplot_3dmap_draw.f90 │ ├── kuplot_3dmap_mod.f90 │ ├── kuplot_adt.f90 │ ├── kuplot_blk_appl.f90 │ ├── kuplot_branch.f90 │ ├── kuplot_config.f90 │ ├── kuplot_diffev_plot.f90 │ ├── kuplot_draw_low.f90 │ ├── kuplot_draw_tframe.f90 │ ├── kuplot_err_appl.f90 │ ├── kuplot_exit.f90 │ ├── kuplot_extrema.f90 │ ├── kuplot_global.f90 │ ├── kuplot_kdo.f90 │ ├── kuplot_kdo_common.f90 │ ├── kuplot_load_h5.f90 │ ├── kuplot_load_h5_no.f90 │ ├── kuplot_load_shelx.f90 │ ├── kuplot_loop.f90 │ ├── kuplot_low.f90 │ ├── kuplot_mod.f90 │ ├── kuplot_nexus.f90 │ ├── kuplot_nonexus.f90 │ ├── kuplot_place.f90 │ ├── kuplot_plot.f90 │ ├── kuplot_plot_low.f90 │ ├── kuplot_py.f90 │ ├── kuplot_reset.f90 │ ├── kuplot_save.f90 │ ├── kuplot_setup.f90 │ ├── kuplot_setup_sub.f90 │ ├── kuplot_show.f90 │ ├── kuplot_toglobal.f90 │ ├── kuplot_top.f90 │ ├── kuplot_upd_par.f90 │ ├── kuplot_wichtung.f90 │ ├── kuplot_words_mod.f90 │ ├── load.f90 │ ├── math.f90 │ ├── nexus.inc │ ├── para.f90 │ └── sysmac │ ├── gs-sub.mac │ └── systest.mac ├── lib_f90 ├── CMakeLists.txt ├── FCreadline.c ├── allocate_generic.f90 ├── appl_unix.f90 ├── arrays_mod.f90 ├── ber_params_mod.f90 ├── berechne_mod.f90 ├── blanks_mod.f90 ├── blockdat.f90 ├── build_name_mod.f90 ├── calc_expr_mod.f90 ├── calc_intr_mod.f90 ├── charact_mod.f90 ├── class_macro.f90 ├── cmdline_args_mod.f90 ├── constants_mod.f90 ├── count_col_mod.f90 ├── csocket.c ├── csup.c ├── data_struc.f90 ├── data_struc_type.f90 ├── data_types.f90 ├── date.inc.template ├── debug.h ├── debug_mod.f90 ├── define_variable_mod.f90 ├── dkdo.f90 ├── do_echo_mod.f90 ├── do_eval_mod.f90 ├── do_execute_mod.f90 ├── do_read_number_mod.f90 ├── do_replace_expr.f90 ├── do_set_mod.f90 ├── do_show_mod.f90 ├── do_string_alloc_mod.f90 ├── do_variable_mod.f90 ├── do_wait_mod.f90 ├── doact_mod.f90 ├── doexec_mod.f90 ├── doloop_mod.f90 ├── dummy_loop_mpi.f90 ├── edit.c ├── element_data_mod.f90 ├── envir_mod.f90 ├── errlist.f90 ├── errlist_mod.f90 ├── ersetz_mod.f90 ├── ersetzl_mod.f90 ├── exit_mod.f90 ├── exit_para.f90 ├── fast_fourier_mod.f90 ├── fft_singleton.f90 ├── fftpack6.0.f90 ├── forpy_mod.F90 ├── fput_mod.f90 ├── gamma_mod.f90 ├── gauss_lorentz_pseudo.f90 ├── gaussj_mod.f90 ├── gen_mpi_mod.f90 ├── get_params_mod.f90 ├── global_data.f90 ├── hdf5_def.f90 ├── hdf5_params.f90 ├── hdf5_params_no.f90 ├── hdf5_read.f90 ├── hdf_write.f90 ├── hdf_write_no.f90 ├── help.f90 ├── jsu_readline.f90 ├── kdo_all_mod.f90 ├── learn.f90 ├── learn_mod.f90 ├── length_string_mod.f90 ├── lib_conv.f90 ├── lib_conver_shelx.f90 ├── lib_element_status.f90 ├── lib_f90.hlp ├── lib_f90_alloc.f90 ├── lib_f90_config.f90 ├── lib_f90_default.f90 ├── lib_f90_fftw3.f90 ├── lib_f90_profile.f90 ├── lib_forpython.f90 ├── lib_functions.f90 ├── lib_get_var_type.f90 ├── lib_global_flags.f90 ├── lib_h5fortran_mod.f90 ├── lib_ik.f90 ├── lib_lanczos.f90 ├── lib_load.f90 ├── lib_math.f90 ├── lib_metric.f90 ├── lib_nx_read.f90 ├── lib_nx_transfer_mod.f90 ├── lib_nx_write.f90 ├── lib_timer.f90 ├── lib_timer_mod.f90 ├── lib_trans.f90 ├── lib_unified_chars_mod.f90 ├── lib_upd_mod.f90 ├── lib_use_coor.f90 ├── lib_weights.f90 ├── lib_write_debug.f90 ├── macro.f90 ├── macro_internal.f90 ├── macro_mod.f90 ├── map_1dtofield.f90 ├── math_sup.f90 ├── matrix_mod.f90 ├── memory.f90 ├── mpi_slave_mod.f90 ├── mrc_data.f90 ├── op_linux.f90 ├── op_macos.f90 ├── op_windows.f90 ├── operating_mod.f90 ├── parallel_CUDA.f90 ├── parallel_mod.f90 ├── parallel_none.f90 ├── param_mod.f90 ├── precision_command_mod.f90 ├── precision_mod.f90 ├── profile_tof.f90 ├── prompt_mod.f90 ├── random.f90 ├── random_mod.f90 ├── random_state_mod.f90 ├── refine_control.f90 ├── refine_data_mod.f90 ├── refine_load.f90 ├── refine_params.f90 ├── remote.f90 ├── reserved_mod.f90 ├── search_string_mod.f90 ├── send_get.f90 ├── set_sub_generic_mod.f90 ├── sine_table.f90 ├── sockets_mod.f90 ├── sorting.f90 ├── spline_mod.f90 ├── str_comp_mod.f90 ├── string_convert_mod.f90 ├── string_extract_mod.f90 ├── sup.f90 ├── support_mod.f90 ├── sys_gfortran.f90 ├── sys_intel.f90 ├── sys_mac.f90 ├── sys_pgi.f90 ├── take_param_mod.f90 ├── terminal_mod.f90 ├── times_mod.f90 ├── trig_degree_mod.f90 ├── unified_read.f90 ├── unified_write.f90 ├── variable_array_calc.f90 ├── variable_mod.f90 ├── variable_test.f90 ├── version.inc.template ├── win32-glob.c ├── win32-glob.h └── wink_mod.f90 ├── mixscat ├── examples │ ├── CeCe.res │ ├── CeCe_new_diff.gr │ ├── CeF.res │ ├── CeF3_Bulk_npdf_03902.gr │ ├── CeF3_bulk_binned.gr │ ├── CeF3_fake_N.gr │ ├── CeF3_fake_X.gr │ ├── CeF3_structure.cif │ ├── CeF_new_diff.gr │ ├── FF_new_diff.gr │ ├── cece.gr │ ├── cece.ma │ ├── cef.gr │ ├── cef.ma │ ├── cef3.cll │ ├── fake.mac │ ├── ff.gr │ ├── ff.ma │ ├── ff.res │ ├── p.mac │ ├── pdf.mac │ ├── pma.mac │ ├── test.mac │ ├── tot.gr │ ├── w_CeCe.mac │ ├── w_CeF.mac │ ├── w_FF.mac │ ├── wn_CeCe.mac │ ├── wn_CeF.mac │ └── wn_FF.mac └── prog │ ├── CMakeLists.txt │ ├── appl_mix.hlp │ ├── blk_appl.f90 │ ├── config_mod.f90 │ ├── err_appl.f90 │ ├── exit.f90 │ ├── fit.f90 │ ├── kdo.f90 │ ├── lazy.f │ ├── load.f90 │ ├── mixscat.f90 │ ├── mixscat_mod.f90 │ ├── save.f90 │ ├── set.f90 │ ├── show.f90 │ ├── sysmac │ └── systest.mac │ ├── upd_par.f90 │ └── weights.f90 ├── nexus ├── NXUmodule.f90 └── NXmodule.f90 ├── python ├── CMakeLists.txt ├── Notebooks │ ├── APITests.ipynb │ ├── PowderPlotting.ipynb │ ├── demo.mac │ ├── one.mac │ ├── plot3d.mac │ ├── pow.py │ ├── powder.mac │ ├── primitive.cell │ ├── test.py │ ├── two.mac │ └── vartest.mac └── suite_python.f90 ├── refine └── prog │ ├── CMakeLists.txt │ ├── appl_ref.hlp │ ├── refine_add_param.f90 │ ├── refine_allocate_appl.f90 │ ├── refine_blk_appl.f90 │ ├── refine_branch.f90 │ ├── refine_constraint.f90 │ ├── refine_control.f90 │ ├── refine_current.f90 │ ├── refine_data_mod.f90 │ ├── refine_do_exit.f90 │ ├── refine_err_appl.f90 │ ├── refine_fit_erg.f90 │ ├── refine_fit_mache_kdo.f90 │ ├── refine_fit_set_sub_mod.f90 │ ├── refine_fix.f90 │ ├── refine_head_mod.f90 │ ├── refine_kdo.f90 │ ├── refine_load.f90 │ ├── refine_log_mod.f90 │ ├── refine_loop.f90 │ ├── refine_loop_mpi.f90 │ ├── refine_mac_mod.f90 │ ├── refine_params.f90 │ ├── refine_random_mod.f90 │ ├── refine_reset.f90 │ ├── refine_run.f90 │ ├── refine_run_mpi_mod.f90 │ ├── refine_set.f90 │ ├── refine_set_param.f90 │ ├── refine_setup.f90 │ ├── refine_setup_sub.f90 │ ├── refine_show.f90 │ ├── refine_upd_par.f90 │ └── sysmac │ └── systest.mac ├── release_notes.txt ├── scripts ├── MACconfig.sh └── setup.sh ├── suite └── prog │ ├── CMakeLists.txt │ ├── appl_suite.hlp │ ├── suite.f90 │ ├── suite_branch.f90 │ ├── suite_err_appl.f90 │ ├── suite_execute_cost.f90 │ ├── suite_exit.f90 │ ├── suite_init_mod.f90 │ ├── suite_kdo.f90 │ ├── suite_loop.f90 │ ├── suite_out_file.f90 │ ├── suite_parallel.f90 │ ├── suite_pdf_file.f90 │ ├── suite_powder_file.f90 │ ├── suite_set_sub_mod.f90 │ ├── suite_setup_mod.f90 │ ├── suite_top.f90 │ ├── suite_upd_par.f90 │ └── sysmac │ └── systest.mac └── tools ├── convert2f90 ├── convert_inc2f90 ├── create_dependency_list ├── make_dep ├── make_dep.f90 ├── makedep.pl ├── substitute_end_inc ├── substitute_inc └── substitute_keywords /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/.gitignore -------------------------------------------------------------------------------- /.travis.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/.travis.yml -------------------------------------------------------------------------------- /CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/CMakeLists.txt -------------------------------------------------------------------------------- /License.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/License.txt -------------------------------------------------------------------------------- /Manual/AAA_INSTALL_DISCUS_CYGWIN.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/AAA_INSTALL_DISCUS_CYGWIN.pdf -------------------------------------------------------------------------------- /Manual/AAA_INSTALL_DISCUS_LINUX.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/AAA_INSTALL_DISCUS_LINUX.pdf -------------------------------------------------------------------------------- /Manual/AAA_INSTALL_DISCUS_MACOS.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/AAA_INSTALL_DISCUS_MACOS.pdf -------------------------------------------------------------------------------- /Manual/AAA_INSTALL_DISCUS_WINDOWS_WSL.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/AAA_INSTALL_DISCUS_WINDOWS_WSL.pdf -------------------------------------------------------------------------------- /Manual/diffev_man.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/diffev_man.pdf -------------------------------------------------------------------------------- /Manual/discus_man.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/discus_man.pdf -------------------------------------------------------------------------------- /Manual/experi_man.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/experi_man.pdf -------------------------------------------------------------------------------- /Manual/kuplot_man.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/kuplot_man.pdf -------------------------------------------------------------------------------- /Manual/mixscat_man.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/mixscat_man.pdf -------------------------------------------------------------------------------- /Manual/package_man.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/package_man.pdf -------------------------------------------------------------------------------- /Manual/refine_man.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/refine_man.pdf -------------------------------------------------------------------------------- /Manual/suite_man.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/Manual/suite_man.pdf -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/README.md -------------------------------------------------------------------------------- /cmake/DefaultSearchPaths.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/DefaultSearchPaths.cmake -------------------------------------------------------------------------------- /cmake/FindCython.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindCython.cmake -------------------------------------------------------------------------------- /cmake/FindF2PY.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindF2PY.cmake -------------------------------------------------------------------------------- /cmake/FindFFTW.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindFFTW.cmake -------------------------------------------------------------------------------- /cmake/FindFINUFFT.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindFINUFFT.cmake -------------------------------------------------------------------------------- /cmake/FindHDF5.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindHDF5.cmake -------------------------------------------------------------------------------- /cmake/FindNEXUS.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindNEXUS.cmake -------------------------------------------------------------------------------- /cmake/FindNumPy.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindNumPy.cmake -------------------------------------------------------------------------------- /cmake/FindPGPLOT.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindPGPLOT.cmake -------------------------------------------------------------------------------- /cmake/FindPythonExtensions.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindPythonExtensions.cmake -------------------------------------------------------------------------------- /cmake/FindReadline.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/FindReadline.cmake -------------------------------------------------------------------------------- /cmake/LICENSE_FFTW.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/LICENSE_FFTW.txt -------------------------------------------------------------------------------- /cmake/UseCython.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/UseCython.cmake -------------------------------------------------------------------------------- /cmake/UseF2PY.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/UseF2PY.cmake -------------------------------------------------------------------------------- /cmake/UseF2Py.cmake.orig: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/UseF2Py.cmake.orig -------------------------------------------------------------------------------- /cmake/UsePythonExtensions.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/UsePythonExtensions.cmake -------------------------------------------------------------------------------- /cmake/h5fortran-targets-noconfig.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/h5fortran-targets-noconfig.cmake -------------------------------------------------------------------------------- /cmake/h5fortran-targets.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/h5fortran-targets.cmake -------------------------------------------------------------------------------- /cmake/h5fortranConfig.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/h5fortranConfig.cmake -------------------------------------------------------------------------------- /cmake/h5fortranConfigVersion.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/h5fortranConfigVersion.cmake -------------------------------------------------------------------------------- /cmake/targetLinkLibrariesWithDynamicLookup.cmake: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/cmake/targetLinkLibrariesWithDynamicLookup.cmake -------------------------------------------------------------------------------- /create_h5fortran.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/create_h5fortran.sh -------------------------------------------------------------------------------- /diffev/examples/arctan/DATA/data.noisy: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/DATA/data.noisy -------------------------------------------------------------------------------- /diffev/examples/arctan/DATA/data.values: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/DATA/data.values -------------------------------------------------------------------------------- /diffev/examples/arctan/DATA/data.values.250: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/DATA/data.values.250 -------------------------------------------------------------------------------- /diffev/examples/arctan/DATA/makedata.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/DATA/makedata.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/README: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/README -------------------------------------------------------------------------------- /diffev/examples/arctan/REPEAT: -------------------------------------------------------------------------------- 1 | 0 2 | -------------------------------------------------------------------------------- /diffev/examples/arctan/arctan.f: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/arctan.f -------------------------------------------------------------------------------- /diffev/examples/arctan/arctan.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/arctan.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/clean: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/clean -------------------------------------------------------------------------------- /diffev/examples/arctan/diffev.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/diffev.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/diffev_continue.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/diffev_continue.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/diffev_setup.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/diffev_setup.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/fit.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/fit.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/kcompare.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/kcompare.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/kdraw.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/kdraw.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/kpar_par.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/kpar_par.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/kpar_par_90.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/kpar_par_90.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/kpara.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/kpara.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/kpara_90.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/kpara_90.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/krval_par.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/krval_par.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/kuplot.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/kuplot.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/loop.mac: -------------------------------------------------------------------------------- 1 | system ./arctan 2 | compare 3 | -------------------------------------------------------------------------------- /diffev/examples/arctan/main.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/main.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/second.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/second.mac -------------------------------------------------------------------------------- /diffev/examples/arctan/wdiffev.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/arctan/wdiffev.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/DATA/funktion.data: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/DATA/funktion.data -------------------------------------------------------------------------------- /diffev/examples/parabola/cleanup.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/cleanup.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/diffev.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/diffev.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/diffev_increase.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/diffev_increase.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/diffev_increase_cube.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/diffev_increase_cube.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/diffev_run.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/diffev_run.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/diffev_setup.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/diffev_setup.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/function: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/function -------------------------------------------------------------------------------- /diffev/examples/parabola/function.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/function.f90 -------------------------------------------------------------------------------- /diffev/examples/parabola/kpar_par.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/kpar_par.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/kpara.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/kpara.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/ksingle.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/ksingle.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/kup.backup.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/kup.backup.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/kup.select.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/kup.select.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/kup_diffev.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/kup_diffev.mac -------------------------------------------------------------------------------- /diffev/examples/parabola/make_func.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/examples/parabola/make_func.mac -------------------------------------------------------------------------------- /diffev/prog/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/CMakeLists.txt -------------------------------------------------------------------------------- /diffev/prog/appl_dif.hlp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/appl_dif.hlp -------------------------------------------------------------------------------- /diffev/prog/compare.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/compare.f90 -------------------------------------------------------------------------------- /diffev/prog/constraint.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/constraint.f90 -------------------------------------------------------------------------------- /diffev/prog/create_trial.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/create_trial.f90 -------------------------------------------------------------------------------- /diffev/prog/diff_evol.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diff_evol.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_add_param.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_add_param.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_allocate_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_allocate_appl.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_blk_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_blk_appl.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_branch.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_branch.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_config.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_config.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_distrib_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_distrib_mod.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_do_exit.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_do_exit.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_err_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_err_appl.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_execute_cost.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_execute_cost.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_kdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_kdo.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_load.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_load.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_loop.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_loop.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_loop_mpi.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_loop_mpi.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_py.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_py.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_random.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_random.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_refine.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_refine.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_release.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_release.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_reset.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_reset.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_set_cost.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_set_cost.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_set_gen.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_set_gen.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_set_sub.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_set_sub.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_setup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_setup.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_show.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_show.f90 -------------------------------------------------------------------------------- /diffev/prog/diffev_upd_par.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/diffev_upd_par.f90 -------------------------------------------------------------------------------- /diffev/prog/initialise.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/initialise.f90 -------------------------------------------------------------------------------- /diffev/prog/no_mpi.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/no_mpi.f90 -------------------------------------------------------------------------------- /diffev/prog/population.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/population.f90 -------------------------------------------------------------------------------- /diffev/prog/run_mpi_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/run_mpi_mod.f90 -------------------------------------------------------------------------------- /diffev/prog/support_diffev_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/support_diffev_mod.f90 -------------------------------------------------------------------------------- /diffev/prog/sysmac/modify_trial.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/sysmac/modify_trial.mac -------------------------------------------------------------------------------- /diffev/prog/sysmac/systest.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/sysmac/systest.mac -------------------------------------------------------------------------------- /diffev/prog/triple_perm.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/triple_perm.f90 -------------------------------------------------------------------------------- /diffev/prog/with_mpi.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/diffev/prog/with_mpi.f90 -------------------------------------------------------------------------------- /discus/prog/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/CMakeLists.txt -------------------------------------------------------------------------------- /discus/prog/appl_dis.hlp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/appl_dis.hlp -------------------------------------------------------------------------------- /discus/prog/atom_env_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/atom_env_mod.f90 -------------------------------------------------------------------------------- /discus/prog/atom_line.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/atom_line.f90 -------------------------------------------------------------------------------- /discus/prog/atom_name.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/atom_name.f90 -------------------------------------------------------------------------------- /discus/prog/bv_data_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/bv_data_mod.f90 -------------------------------------------------------------------------------- /discus/prog/celltoindex.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/celltoindex.f90 -------------------------------------------------------------------------------- /discus/prog/check_blen_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/check_blen_mod.f90 -------------------------------------------------------------------------------- /discus/prog/check_bound_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/check_bound_mod.f90 -------------------------------------------------------------------------------- /discus/prog/check_user_prop_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/check_user_prop_mod.f90 -------------------------------------------------------------------------------- /discus/prog/chem.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/chem.f90 -------------------------------------------------------------------------------- /discus/prog/chem_aver_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/chem_aver_mod.f90 -------------------------------------------------------------------------------- /discus/prog/chem_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/chem_mod.f90 -------------------------------------------------------------------------------- /discus/prog/chem_multi.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/chem_multi.f90 -------------------------------------------------------------------------------- /discus/prog/chem_neig_multi.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/chem_neig_multi.f90 -------------------------------------------------------------------------------- /discus/prog/chem_symm_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/chem_symm_mod.f90 -------------------------------------------------------------------------------- /discus/prog/class_atom.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/class_atom.f90 -------------------------------------------------------------------------------- /discus/prog/class_crystal.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/class_crystal.f90 -------------------------------------------------------------------------------- /discus/prog/class_dc_def.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/class_dc_def.f90 -------------------------------------------------------------------------------- /discus/prog/class_internal.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/class_internal.f90 -------------------------------------------------------------------------------- /discus/prog/color.map: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/color.map -------------------------------------------------------------------------------- /discus/prog/conn_def_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/conn_def_mod.f90 -------------------------------------------------------------------------------- /discus/prog/conn_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/conn_mod.f90 -------------------------------------------------------------------------------- /discus/prog/conn_sup_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/conn_sup_mod.f90 -------------------------------------------------------------------------------- /discus/prog/conn_type_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/conn_type_mod.f90 -------------------------------------------------------------------------------- /discus/prog/crystal_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/crystal_mod.f90 -------------------------------------------------------------------------------- /discus/prog/debye_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/debye_mod.f90 -------------------------------------------------------------------------------- /discus/prog/deco_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/deco_mod.f90 -------------------------------------------------------------------------------- /discus/prog/demolec.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/demolec.f90 -------------------------------------------------------------------------------- /discus/prog/demolec_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/demolec_mod.f90 -------------------------------------------------------------------------------- /discus/prog/diffuse_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/diffuse_mod.f90 -------------------------------------------------------------------------------- /discus/prog/discus.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus.f90 -------------------------------------------------------------------------------- /discus/prog/discus_3dpdf.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_3dpdf.f90 -------------------------------------------------------------------------------- /discus/prog/discus_allocate_appl_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_allocate_appl_mod.f90 -------------------------------------------------------------------------------- /discus/prog/discus_blk_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_blk_appl.f90 -------------------------------------------------------------------------------- /discus/prog/discus_bragg.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_bragg.f90 -------------------------------------------------------------------------------- /discus/prog/discus_branch.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_branch.f90 -------------------------------------------------------------------------------- /discus/prog/discus_build_molecule.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_build_molecule.f90 -------------------------------------------------------------------------------- /discus/prog/discus_config_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_config_mod.f90 -------------------------------------------------------------------------------- /discus/prog/discus_crystal.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_crystal.f90 -------------------------------------------------------------------------------- /discus/prog/discus_discamb.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_discamb.f90 -------------------------------------------------------------------------------- /discus/prog/discus_err_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_err_appl.f90 -------------------------------------------------------------------------------- /discus/prog/discus_estimate.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_estimate.f90 -------------------------------------------------------------------------------- /discus/prog/discus_exit.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_exit.f90 -------------------------------------------------------------------------------- /discus/prog/discus_exp2pdf.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_exp2pdf.f90 -------------------------------------------------------------------------------- /discus/prog/discus_exp2pdf_data.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_exp2pdf_data.f90 -------------------------------------------------------------------------------- /discus/prog/discus_exp2pdf_load.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_exp2pdf_load.f90 -------------------------------------------------------------------------------- /discus/prog/discus_exp2pdf_run.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_exp2pdf_run.f90 -------------------------------------------------------------------------------- /discus/prog/discus_exp2pdf_supp.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_exp2pdf_supp.f90 -------------------------------------------------------------------------------- /discus/prog/discus_export.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_export.f90 -------------------------------------------------------------------------------- /discus/prog/discus_fft.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_fft.f90 -------------------------------------------------------------------------------- /discus/prog/discus_fit.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_fit.f90 -------------------------------------------------------------------------------- /discus/prog/discus_guess_atoms.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_guess_atoms.f90 -------------------------------------------------------------------------------- /discus/prog/discus_kdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_kdo.f90 -------------------------------------------------------------------------------- /discus/prog/discus_kdo_common.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_kdo_common.f90 -------------------------------------------------------------------------------- /discus/prog/discus_loop.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_loop.f90 -------------------------------------------------------------------------------- /discus/prog/discus_mrc.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_mrc.f90 -------------------------------------------------------------------------------- /discus/prog/discus_nexus.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_nexus.f90 -------------------------------------------------------------------------------- /discus/prog/discus_nexus_no.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_nexus_no.f90 -------------------------------------------------------------------------------- /discus/prog/discus_nipl_header.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_nipl_header.f90 -------------------------------------------------------------------------------- /discus/prog/discus_out_file.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_out_file.f90 -------------------------------------------------------------------------------- /discus/prog/discus_pdf_file.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_pdf_file.f90 -------------------------------------------------------------------------------- /discus/prog/discus_plot.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_plot.f90 -------------------------------------------------------------------------------- /discus/prog/discus_plot_export.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_plot_export.f90 -------------------------------------------------------------------------------- /discus/prog/discus_plot_init.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_plot_init.f90 -------------------------------------------------------------------------------- /discus/prog/discus_plot_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_plot_mod.f90 -------------------------------------------------------------------------------- /discus/prog/discus_pointgrp.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_pointgrp.f90 -------------------------------------------------------------------------------- /discus/prog/discus_powder_fft.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_powder_fft.f90 -------------------------------------------------------------------------------- /discus/prog/discus_powder_file.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_powder_file.f90 -------------------------------------------------------------------------------- /discus/prog/discus_prep_anis.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_prep_anis.f90 -------------------------------------------------------------------------------- /discus/prog/discus_prepare_refine.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_prepare_refine.f90 -------------------------------------------------------------------------------- /discus/prog/discus_py.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_py.f90 -------------------------------------------------------------------------------- /discus/prog/discus_reduce.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_reduce.f90 -------------------------------------------------------------------------------- /discus/prog/discus_reset_all.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_reset_all.f90 -------------------------------------------------------------------------------- /discus/prog/discus_s_out_file.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_s_out_file.f90 -------------------------------------------------------------------------------- /discus/prog/discus_s_pdf_file.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_s_pdf_file.f90 -------------------------------------------------------------------------------- /discus/prog/discus_s_powder_file.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_s_powder_file.f90 -------------------------------------------------------------------------------- /discus/prog/discus_save.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_save.f90 -------------------------------------------------------------------------------- /discus/prog/discus_save_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_save_mod.f90 -------------------------------------------------------------------------------- /discus/prog/discus_save_temp.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_save_temp.f90 -------------------------------------------------------------------------------- /discus/prog/discus_set_sub.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_set_sub.f90 -------------------------------------------------------------------------------- /discus/prog/discus_setup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_setup.f90 -------------------------------------------------------------------------------- /discus/prog/discus_show.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_show.f90 -------------------------------------------------------------------------------- /discus/prog/discus_super_func.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_super_func.f90 -------------------------------------------------------------------------------- /discus/prog/discus_super_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_super_mod.f90 -------------------------------------------------------------------------------- /discus/prog/discus_super_waves.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_super_waves.f90 -------------------------------------------------------------------------------- /discus/prog/discus_symmetrize.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_symmetrize.f90 -------------------------------------------------------------------------------- /discus/prog/discus_trans_to_short.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_trans_to_short.f90 -------------------------------------------------------------------------------- /discus/prog/discus_upd_par.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_upd_par.f90 -------------------------------------------------------------------------------- /discus/prog/discus_xplor.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/discus_xplor.f90 -------------------------------------------------------------------------------- /discus/prog/do_find_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/do_find_mod.f90 -------------------------------------------------------------------------------- /discus/prog/domain.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/domain.f90 -------------------------------------------------------------------------------- /discus/prog/domain_irreg_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/domain_irreg_mod.f90 -------------------------------------------------------------------------------- /discus/prog/domain_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/domain_mod.f90 -------------------------------------------------------------------------------- /discus/prog/domaindis_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/domaindis_mod.f90 -------------------------------------------------------------------------------- /discus/prog/external.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/external.f90 -------------------------------------------------------------------------------- /discus/prog/external_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/external_mod.f90 -------------------------------------------------------------------------------- /discus/prog/extrmc.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/extrmc.f90 -------------------------------------------------------------------------------- /discus/prog/find_top.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/find_top.f90 -------------------------------------------------------------------------------- /discus/prog/four_angles_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/four_angles_mod.f90 -------------------------------------------------------------------------------- /discus/prog/four_strucf_OMP_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/four_strucf_OMP_mod.f90 -------------------------------------------------------------------------------- /discus/prog/four_strucf_cuda.cu: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/four_strucf_cuda.cu -------------------------------------------------------------------------------- /discus/prog/four_strucf_cuda_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/four_strucf_cuda_mod.f90 -------------------------------------------------------------------------------- /discus/prog/four_strucf_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/four_strucf_mod.f90 -------------------------------------------------------------------------------- /discus/prog/fourier.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/fourier.f90 -------------------------------------------------------------------------------- /discus/prog/fourier_conv.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/fourier_conv.f90 -------------------------------------------------------------------------------- /discus/prog/fourier_finufft.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/fourier_finufft.f90 -------------------------------------------------------------------------------- /discus/prog/fourier_form.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/fourier_form.f90 -------------------------------------------------------------------------------- /discus/prog/fourier_lmn_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/fourier_lmn_mod.f90 -------------------------------------------------------------------------------- /discus/prog/fourier_reset.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/fourier_reset.f90 -------------------------------------------------------------------------------- /discus/prog/fourier_sup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/fourier_sup.f90 -------------------------------------------------------------------------------- /discus/prog/gen_add_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/gen_add_mod.f90 -------------------------------------------------------------------------------- /discus/prog/generate_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/generate_mod.f90 -------------------------------------------------------------------------------- /discus/prog/get_iscat_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/get_iscat_mod.f90 -------------------------------------------------------------------------------- /discus/prog/graphic.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/graphic.f90 -------------------------------------------------------------------------------- /discus/prog/hdf_write.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/hdf_write.f90 -------------------------------------------------------------------------------- /discus/prog/hdf_write_no.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/hdf_write_no.f90 -------------------------------------------------------------------------------- /discus/prog/insert.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/insert.f90 -------------------------------------------------------------------------------- /discus/prog/insert_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/insert_mod.f90 -------------------------------------------------------------------------------- /discus/prog/intens_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/intens_mod.f90 -------------------------------------------------------------------------------- /discus/prog/inter_readstru.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/inter_readstru.f90 -------------------------------------------------------------------------------- /discus/prog/interpret.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/interpret.f90 -------------------------------------------------------------------------------- /discus/prog/inverse_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/inverse_mod.f90 -------------------------------------------------------------------------------- /discus/prog/mc_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/mc_mod.f90 -------------------------------------------------------------------------------- /discus/prog/metric.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/metric.f90 -------------------------------------------------------------------------------- /discus/prog/micro_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/micro_mod.f90 -------------------------------------------------------------------------------- /discus/prog/mmc.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/mmc.f90 -------------------------------------------------------------------------------- /discus/prog/mmc_basic.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/mmc_basic.f90 -------------------------------------------------------------------------------- /discus/prog/mmc_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/mmc_mod.f90 -------------------------------------------------------------------------------- /discus/prog/mmc_mole.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/mmc_mole.f90 -------------------------------------------------------------------------------- /discus/prog/modify_func_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/modify_func_mod.f90 -------------------------------------------------------------------------------- /discus/prog/modify_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/modify_mod.f90 -------------------------------------------------------------------------------- /discus/prog/mole_env_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/mole_env_mod.f90 -------------------------------------------------------------------------------- /discus/prog/molecule_alloc.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/molecule_alloc.f90 -------------------------------------------------------------------------------- /discus/prog/molecule_func.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/molecule_func.f90 -------------------------------------------------------------------------------- /discus/prog/molecule_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/molecule_mod.f90 -------------------------------------------------------------------------------- /discus/prog/output_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/output_mod.f90 -------------------------------------------------------------------------------- /discus/prog/patters.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/patters.f90 -------------------------------------------------------------------------------- /discus/prog/patters_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/patters_mod.f90 -------------------------------------------------------------------------------- /discus/prog/pdf.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/pdf.f90 -------------------------------------------------------------------------------- /discus/prog/pdf_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/pdf_mod.f90 -------------------------------------------------------------------------------- /discus/prog/perioditize.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/perioditize.f90 -------------------------------------------------------------------------------- /discus/prog/phases_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/phases_mod.f90 -------------------------------------------------------------------------------- /discus/prog/phases_set_form.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/phases_set_form.f90 -------------------------------------------------------------------------------- /discus/prog/phases_set_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/phases_set_mod.f90 -------------------------------------------------------------------------------- /discus/prog/phases_stack.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/phases_stack.f90 -------------------------------------------------------------------------------- /discus/prog/place_molecule.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/place_molecule.f90 -------------------------------------------------------------------------------- /discus/prog/pname.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/pname.inc -------------------------------------------------------------------------------- /discus/prog/powder.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/powder.f90 -------------------------------------------------------------------------------- /discus/prog/powder_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/powder_mod.f90 -------------------------------------------------------------------------------- /discus/prog/powder_out_partial.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/powder_out_partial.f90 -------------------------------------------------------------------------------- /discus/prog/powder_pdf_hist.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/powder_pdf_hist.f90 -------------------------------------------------------------------------------- /discus/prog/powder_scat_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/powder_scat_mod.f90 -------------------------------------------------------------------------------- /discus/prog/powder_tables.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/powder_tables.f90 -------------------------------------------------------------------------------- /discus/prog/powder_write_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/powder_write_mod.f90 -------------------------------------------------------------------------------- /discus/prog/private.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/private.f90 -------------------------------------------------------------------------------- /discus/prog/prop_char_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/prop_char_mod.f90 -------------------------------------------------------------------------------- /discus/prog/prop_para_func.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/prop_para_func.f90 -------------------------------------------------------------------------------- /discus/prog/prop_para_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/prop_para_mod.f90 -------------------------------------------------------------------------------- /discus/prog/quad.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/quad.f90 -------------------------------------------------------------------------------- /discus/prog/qval.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/qval.f90 -------------------------------------------------------------------------------- /discus/prog/read_internal_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/read_internal_mod.f90 -------------------------------------------------------------------------------- /discus/prog/recipro_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/recipro_mod.f90 -------------------------------------------------------------------------------- /discus/prog/refine_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/refine_mod.f90 -------------------------------------------------------------------------------- /discus/prog/rmc.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/rmc.f90 -------------------------------------------------------------------------------- /discus/prog/rmc_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/rmc_mod.f90 -------------------------------------------------------------------------------- /discus/prog/rmc_sup_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/rmc_sup_mod.f90 -------------------------------------------------------------------------------- /discus/prog/rmc_symm.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/rmc_symm.f90 -------------------------------------------------------------------------------- /discus/prog/shear.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/shear.f90 -------------------------------------------------------------------------------- /discus/prog/shear_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/shear_mod.f90 -------------------------------------------------------------------------------- /discus/prog/spcgr_apply.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/spcgr_apply.f90 -------------------------------------------------------------------------------- /discus/prog/spcgr_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/spcgr_mod.f90 -------------------------------------------------------------------------------- /discus/prog/spcgr_setup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/spcgr_setup.f90 -------------------------------------------------------------------------------- /discus/prog/stack.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/stack.f90 -------------------------------------------------------------------------------- /discus/prog/stack_cr_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/stack_cr_mod.f90 -------------------------------------------------------------------------------- /discus/prog/stack_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/stack_mod.f90 -------------------------------------------------------------------------------- /discus/prog/stack_rese.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/stack_rese.f90 -------------------------------------------------------------------------------- /discus/prog/storage.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/storage.f90 -------------------------------------------------------------------------------- /discus/prog/structur.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/structur.f90 -------------------------------------------------------------------------------- /discus/prog/surface_func_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/surface_func_mod.f90 -------------------------------------------------------------------------------- /discus/prog/surface_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/surface_mod.f90 -------------------------------------------------------------------------------- /discus/prog/sym_add_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/sym_add_mod.f90 -------------------------------------------------------------------------------- /discus/prog/symm.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/symm.f90 -------------------------------------------------------------------------------- /discus/prog/symm_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/symm_mod.f90 -------------------------------------------------------------------------------- /discus/prog/symm_sup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/symm_sup.f90 -------------------------------------------------------------------------------- /discus/prog/sysmac/systest.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/sysmac/systest.mac -------------------------------------------------------------------------------- /discus/prog/tensors.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/tensors.f90 -------------------------------------------------------------------------------- /discus/prog/thermal.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/thermal.f90 -------------------------------------------------------------------------------- /discus/prog/trafo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/trafo.f90 -------------------------------------------------------------------------------- /discus/prog/trans_cart_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/trans_cart_mod.f90 -------------------------------------------------------------------------------- /discus/prog/trans_sup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/trans_sup.f90 -------------------------------------------------------------------------------- /discus/prog/transfrm.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/transfrm.f90 -------------------------------------------------------------------------------- /discus/prog/transfrm_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/transfrm_mod.f90 -------------------------------------------------------------------------------- /discus/prog/unitcell_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/unitcell_mod.f90 -------------------------------------------------------------------------------- /discus/prog/update_cr_dim.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/update_cr_dim.f90 -------------------------------------------------------------------------------- /discus/prog/utilities.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/utilities.f90 -------------------------------------------------------------------------------- /discus/prog/vtk_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/vtk_mod.f90 -------------------------------------------------------------------------------- /discus/prog/waves.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/waves.f90 -------------------------------------------------------------------------------- /discus/prog/waves_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/waves_mod.f90 -------------------------------------------------------------------------------- /discus/prog/wyckoff_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/wyckoff_mod.f90 -------------------------------------------------------------------------------- /discus/prog/zone.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/discus/prog/zone.f90 -------------------------------------------------------------------------------- /experi/prog/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/experi/prog/CMakeLists.txt -------------------------------------------------------------------------------- /experi/prog/appl_exp.hlp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/experi/prog/appl_exp.hlp -------------------------------------------------------------------------------- /experi/prog/experi_kdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/experi/prog/experi_kdo.f90 -------------------------------------------------------------------------------- /experi/prog/experi_loop.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/experi/prog/experi_loop.f90 -------------------------------------------------------------------------------- /experi/prog/experi_reset.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/experi/prog/experi_reset.f90 -------------------------------------------------------------------------------- /experi/prog/experi_setup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/experi/prog/experi_setup.f90 -------------------------------------------------------------------------------- /experi/prog/experi_setup_sub.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/experi/prog/experi_setup_sub.f90 -------------------------------------------------------------------------------- /finufft/AAA.README: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/AAA.README -------------------------------------------------------------------------------- /finufft/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/CMakeLists.txt -------------------------------------------------------------------------------- /finufft/LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/LICENSE -------------------------------------------------------------------------------- /finufft/contrib/legendre_rule_fast.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/contrib/legendre_rule_fast.cpp -------------------------------------------------------------------------------- /finufft/contrib/legendre_rule_fast.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/contrib/legendre_rule_fast.h -------------------------------------------------------------------------------- /finufft/contrib/legendre_rule_fast.license: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/contrib/legendre_rule_fast.license -------------------------------------------------------------------------------- /finufft/contrib/legendre_rule_fast.o: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/contrib/legendre_rule_fast.o -------------------------------------------------------------------------------- /finufft/fortran/README: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/fortran/README -------------------------------------------------------------------------------- /finufft/fortran/cmcl_license.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/fortran/cmcl_license.txt -------------------------------------------------------------------------------- /finufft/fortran/finufftfort.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/fortran/finufftfort.cpp -------------------------------------------------------------------------------- /finufft/include/finufft.fh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft.fh -------------------------------------------------------------------------------- /finufft/include/finufft.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft.h -------------------------------------------------------------------------------- /finufft/include/finufft/defs.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft/defs.h -------------------------------------------------------------------------------- /finufft/include/finufft/dirft.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft/dirft.h -------------------------------------------------------------------------------- /finufft/include/finufft/fft.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft/fft.h -------------------------------------------------------------------------------- /finufft/include/finufft/fftw_defs.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft/fftw_defs.h -------------------------------------------------------------------------------- /finufft/include/finufft/finufft_eitherprec.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft/finufft_eitherprec.h -------------------------------------------------------------------------------- /finufft/include/finufft/spreadinterp.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft/spreadinterp.h -------------------------------------------------------------------------------- /finufft/include/finufft/test_defs.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft/test_defs.h -------------------------------------------------------------------------------- /finufft/include/finufft/utils.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft/utils.h -------------------------------------------------------------------------------- /finufft/include/finufft/utils_precindep.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft/utils_precindep.h -------------------------------------------------------------------------------- /finufft/include/finufft_eitherprec.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft_eitherprec.h -------------------------------------------------------------------------------- /finufft/include/finufft_errors.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft_errors.h -------------------------------------------------------------------------------- /finufft/include/finufft_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft_mod.f90 -------------------------------------------------------------------------------- /finufft/include/finufft_opts.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft_opts.h -------------------------------------------------------------------------------- /finufft/include/finufft_spread_opts.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/include/finufft_spread_opts.h -------------------------------------------------------------------------------- /finufft/src/fft.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/fft.cpp -------------------------------------------------------------------------------- /finufft/src/finufft.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/finufft.cpp -------------------------------------------------------------------------------- /finufft/src/ker_horner_allw_loop.c: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/ker_horner_allw_loop.c -------------------------------------------------------------------------------- /finufft/src/ker_horner_allw_loop_constexpr.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/ker_horner_allw_loop_constexpr.h -------------------------------------------------------------------------------- /finufft/src/ker_lowupsampfac_horner_allw_loop.c: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/ker_lowupsampfac_horner_allw_loop.c -------------------------------------------------------------------------------- /finufft/src/ker_lowupsampfac_horner_allw_loop_constexpr.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/ker_lowupsampfac_horner_allw_loop_constexpr.h -------------------------------------------------------------------------------- /finufft/src/simpleinterfaces.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/simpleinterfaces.cpp -------------------------------------------------------------------------------- /finufft/src/spreadinterp.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/spreadinterp.cpp -------------------------------------------------------------------------------- /finufft/src/utils.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/utils.cpp -------------------------------------------------------------------------------- /finufft/src/utils_precindep.cpp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/finufft/src/utils_precindep.cpp -------------------------------------------------------------------------------- /h5fortran-main.zip: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran-main.zip -------------------------------------------------------------------------------- /h5fortran/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/CMakeLists.txt -------------------------------------------------------------------------------- /h5fortran/LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/LICENSE -------------------------------------------------------------------------------- /h5fortran/attr.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/attr.f90 -------------------------------------------------------------------------------- /h5fortran/attr_read.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/attr_read.f90 -------------------------------------------------------------------------------- /h5fortran/attr_read.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/attr_read.inc -------------------------------------------------------------------------------- /h5fortran/attr_write.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/attr_write.f90 -------------------------------------------------------------------------------- /h5fortran/attr_write.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/attr_write.inc -------------------------------------------------------------------------------- /h5fortran/datatype.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/datatype.f90 -------------------------------------------------------------------------------- /h5fortran/deflate.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/deflate.f90 -------------------------------------------------------------------------------- /h5fortran/interface.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/interface.f90 -------------------------------------------------------------------------------- /h5fortran/read.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/read.f90 -------------------------------------------------------------------------------- /h5fortran/read_ascii.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/read_ascii.f90 -------------------------------------------------------------------------------- /h5fortran/read_char.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/read_char.inc -------------------------------------------------------------------------------- /h5fortran/read_fixed.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/read_fixed.inc -------------------------------------------------------------------------------- /h5fortran/read_scalar.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/read_scalar.f90 -------------------------------------------------------------------------------- /h5fortran/read_vlen.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/read_vlen.inc -------------------------------------------------------------------------------- /h5fortran/reader.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/reader.f90 -------------------------------------------------------------------------------- /h5fortran/reader.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/reader.inc -------------------------------------------------------------------------------- /h5fortran/reader_lt.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/reader_lt.f90 -------------------------------------------------------------------------------- /h5fortran/reader_lt.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/reader_lt.inc -------------------------------------------------------------------------------- /h5fortran/utils.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/utils.f90 -------------------------------------------------------------------------------- /h5fortran/write.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/write.f90 -------------------------------------------------------------------------------- /h5fortran/write_scalar.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/write_scalar.f90 -------------------------------------------------------------------------------- /h5fortran/writer.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/writer.f90 -------------------------------------------------------------------------------- /h5fortran/writer.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/writer.inc -------------------------------------------------------------------------------- /h5fortran/writer_lt.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/writer_lt.f90 -------------------------------------------------------------------------------- /h5fortran/writer_lt.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/h5fortran/writer_lt.inc -------------------------------------------------------------------------------- /kuplot/prog/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/CMakeLists.txt -------------------------------------------------------------------------------- /kuplot/prog/appl_kup.dic: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/appl_kup.dic -------------------------------------------------------------------------------- /kuplot/prog/appl_kup.hlp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/appl_kup.hlp -------------------------------------------------------------------------------- /kuplot/prog/calc.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/calc.f90 -------------------------------------------------------------------------------- /kuplot/prog/color.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/color.f90 -------------------------------------------------------------------------------- /kuplot/prog/color.map: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/color.map -------------------------------------------------------------------------------- /kuplot/prog/draw.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/draw.f90 -------------------------------------------------------------------------------- /kuplot/prog/fit.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/fit.f90 -------------------------------------------------------------------------------- /kuplot/prog/fit_mache_kdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/fit_mache_kdo.f90 -------------------------------------------------------------------------------- /kuplot/prog/fit_macro.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/fit_macro.f90 -------------------------------------------------------------------------------- /kuplot/prog/fit_params_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/fit_params_mod.f90 -------------------------------------------------------------------------------- /kuplot/prog/fit_set_sub_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/fit_set_sub_mod.f90 -------------------------------------------------------------------------------- /kuplot/prog/fit_top.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/fit_top.f90 -------------------------------------------------------------------------------- /kuplot/prog/frame.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/frame.f90 -------------------------------------------------------------------------------- /kuplot/prog/gsas.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/gsas.f90 -------------------------------------------------------------------------------- /kuplot/prog/init_win.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/init_win.f90 -------------------------------------------------------------------------------- /kuplot/prog/init_x11.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/init_x11.f90 -------------------------------------------------------------------------------- /kuplot/prog/koordinate_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/koordinate_mod.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_2dmap.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_2dmap.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_2dmap_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_2dmap_mod.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_3dmap.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_3dmap.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_3dmap_draw.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_3dmap_draw.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_3dmap_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_3dmap_mod.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_adt.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_adt.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_blk_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_blk_appl.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_branch.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_branch.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_config.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_config.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_diffev_plot.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_diffev_plot.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_draw_low.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_draw_low.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_draw_tframe.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_draw_tframe.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_err_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_err_appl.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_exit.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_exit.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_extrema.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_extrema.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_global.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_global.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_kdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_kdo.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_kdo_common.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_kdo_common.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_load_h5.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_load_h5.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_load_h5_no.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_load_h5_no.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_load_shelx.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_load_shelx.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_loop.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_loop.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_low.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_low.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_mod.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_nexus.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_nexus.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_nonexus.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_nonexus.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_place.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_place.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_plot.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_plot.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_plot_low.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_plot_low.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_py.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_py.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_reset.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_reset.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_save.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_save.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_setup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_setup.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_setup_sub.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_setup_sub.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_show.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_show.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_toglobal.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_toglobal.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_top.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_top.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_upd_par.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_upd_par.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_wichtung.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_wichtung.f90 -------------------------------------------------------------------------------- /kuplot/prog/kuplot_words_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/kuplot_words_mod.f90 -------------------------------------------------------------------------------- /kuplot/prog/load.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/load.f90 -------------------------------------------------------------------------------- /kuplot/prog/math.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/math.f90 -------------------------------------------------------------------------------- /kuplot/prog/nexus.inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/nexus.inc -------------------------------------------------------------------------------- /kuplot/prog/para.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/para.f90 -------------------------------------------------------------------------------- /kuplot/prog/sysmac/gs-sub.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/sysmac/gs-sub.mac -------------------------------------------------------------------------------- /kuplot/prog/sysmac/systest.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/kuplot/prog/sysmac/systest.mac -------------------------------------------------------------------------------- /lib_f90/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/CMakeLists.txt -------------------------------------------------------------------------------- /lib_f90/FCreadline.c: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/FCreadline.c -------------------------------------------------------------------------------- /lib_f90/allocate_generic.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/allocate_generic.f90 -------------------------------------------------------------------------------- /lib_f90/appl_unix.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/appl_unix.f90 -------------------------------------------------------------------------------- /lib_f90/arrays_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/arrays_mod.f90 -------------------------------------------------------------------------------- /lib_f90/ber_params_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/ber_params_mod.f90 -------------------------------------------------------------------------------- /lib_f90/berechne_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/berechne_mod.f90 -------------------------------------------------------------------------------- /lib_f90/blanks_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/blanks_mod.f90 -------------------------------------------------------------------------------- /lib_f90/blockdat.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/blockdat.f90 -------------------------------------------------------------------------------- /lib_f90/build_name_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/build_name_mod.f90 -------------------------------------------------------------------------------- /lib_f90/calc_expr_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/calc_expr_mod.f90 -------------------------------------------------------------------------------- /lib_f90/calc_intr_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/calc_intr_mod.f90 -------------------------------------------------------------------------------- /lib_f90/charact_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/charact_mod.f90 -------------------------------------------------------------------------------- /lib_f90/class_macro.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/class_macro.f90 -------------------------------------------------------------------------------- /lib_f90/cmdline_args_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/cmdline_args_mod.f90 -------------------------------------------------------------------------------- /lib_f90/constants_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/constants_mod.f90 -------------------------------------------------------------------------------- /lib_f90/count_col_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/count_col_mod.f90 -------------------------------------------------------------------------------- /lib_f90/csocket.c: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/csocket.c -------------------------------------------------------------------------------- /lib_f90/csup.c: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/csup.c -------------------------------------------------------------------------------- /lib_f90/data_struc.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/data_struc.f90 -------------------------------------------------------------------------------- /lib_f90/data_struc_type.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/data_struc_type.f90 -------------------------------------------------------------------------------- /lib_f90/data_types.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/data_types.f90 -------------------------------------------------------------------------------- /lib_f90/date.inc.template: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/date.inc.template -------------------------------------------------------------------------------- /lib_f90/debug.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/debug.h -------------------------------------------------------------------------------- /lib_f90/debug_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/debug_mod.f90 -------------------------------------------------------------------------------- /lib_f90/define_variable_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/define_variable_mod.f90 -------------------------------------------------------------------------------- /lib_f90/dkdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/dkdo.f90 -------------------------------------------------------------------------------- /lib_f90/do_echo_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_echo_mod.f90 -------------------------------------------------------------------------------- /lib_f90/do_eval_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_eval_mod.f90 -------------------------------------------------------------------------------- /lib_f90/do_execute_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_execute_mod.f90 -------------------------------------------------------------------------------- /lib_f90/do_read_number_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_read_number_mod.f90 -------------------------------------------------------------------------------- /lib_f90/do_replace_expr.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_replace_expr.f90 -------------------------------------------------------------------------------- /lib_f90/do_set_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_set_mod.f90 -------------------------------------------------------------------------------- /lib_f90/do_show_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_show_mod.f90 -------------------------------------------------------------------------------- /lib_f90/do_string_alloc_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_string_alloc_mod.f90 -------------------------------------------------------------------------------- /lib_f90/do_variable_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_variable_mod.f90 -------------------------------------------------------------------------------- /lib_f90/do_wait_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/do_wait_mod.f90 -------------------------------------------------------------------------------- /lib_f90/doact_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/doact_mod.f90 -------------------------------------------------------------------------------- /lib_f90/doexec_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/doexec_mod.f90 -------------------------------------------------------------------------------- /lib_f90/doloop_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/doloop_mod.f90 -------------------------------------------------------------------------------- /lib_f90/dummy_loop_mpi.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/dummy_loop_mpi.f90 -------------------------------------------------------------------------------- /lib_f90/edit.c: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/edit.c -------------------------------------------------------------------------------- /lib_f90/element_data_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/element_data_mod.f90 -------------------------------------------------------------------------------- /lib_f90/envir_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/envir_mod.f90 -------------------------------------------------------------------------------- /lib_f90/errlist.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/errlist.f90 -------------------------------------------------------------------------------- /lib_f90/errlist_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/errlist_mod.f90 -------------------------------------------------------------------------------- /lib_f90/ersetz_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/ersetz_mod.f90 -------------------------------------------------------------------------------- /lib_f90/ersetzl_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/ersetzl_mod.f90 -------------------------------------------------------------------------------- /lib_f90/exit_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/exit_mod.f90 -------------------------------------------------------------------------------- /lib_f90/exit_para.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/exit_para.f90 -------------------------------------------------------------------------------- /lib_f90/fast_fourier_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/fast_fourier_mod.f90 -------------------------------------------------------------------------------- /lib_f90/fft_singleton.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/fft_singleton.f90 -------------------------------------------------------------------------------- /lib_f90/fftpack6.0.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/fftpack6.0.f90 -------------------------------------------------------------------------------- /lib_f90/forpy_mod.F90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/forpy_mod.F90 -------------------------------------------------------------------------------- /lib_f90/fput_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/fput_mod.f90 -------------------------------------------------------------------------------- /lib_f90/gamma_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/gamma_mod.f90 -------------------------------------------------------------------------------- /lib_f90/gauss_lorentz_pseudo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/gauss_lorentz_pseudo.f90 -------------------------------------------------------------------------------- /lib_f90/gaussj_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/gaussj_mod.f90 -------------------------------------------------------------------------------- /lib_f90/gen_mpi_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/gen_mpi_mod.f90 -------------------------------------------------------------------------------- /lib_f90/get_params_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/get_params_mod.f90 -------------------------------------------------------------------------------- /lib_f90/global_data.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/global_data.f90 -------------------------------------------------------------------------------- /lib_f90/hdf5_def.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/hdf5_def.f90 -------------------------------------------------------------------------------- /lib_f90/hdf5_params.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/hdf5_params.f90 -------------------------------------------------------------------------------- /lib_f90/hdf5_params_no.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/hdf5_params_no.f90 -------------------------------------------------------------------------------- /lib_f90/hdf5_read.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/hdf5_read.f90 -------------------------------------------------------------------------------- /lib_f90/hdf_write.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/hdf_write.f90 -------------------------------------------------------------------------------- /lib_f90/hdf_write_no.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/hdf_write_no.f90 -------------------------------------------------------------------------------- /lib_f90/help.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/help.f90 -------------------------------------------------------------------------------- /lib_f90/jsu_readline.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/jsu_readline.f90 -------------------------------------------------------------------------------- /lib_f90/kdo_all_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/kdo_all_mod.f90 -------------------------------------------------------------------------------- /lib_f90/learn.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/learn.f90 -------------------------------------------------------------------------------- /lib_f90/learn_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/learn_mod.f90 -------------------------------------------------------------------------------- /lib_f90/length_string_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/length_string_mod.f90 -------------------------------------------------------------------------------- /lib_f90/lib_conv.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_conv.f90 -------------------------------------------------------------------------------- /lib_f90/lib_conver_shelx.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_conver_shelx.f90 -------------------------------------------------------------------------------- /lib_f90/lib_element_status.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_element_status.f90 -------------------------------------------------------------------------------- /lib_f90/lib_f90.hlp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_f90.hlp -------------------------------------------------------------------------------- /lib_f90/lib_f90_alloc.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_f90_alloc.f90 -------------------------------------------------------------------------------- /lib_f90/lib_f90_config.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_f90_config.f90 -------------------------------------------------------------------------------- /lib_f90/lib_f90_default.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_f90_default.f90 -------------------------------------------------------------------------------- /lib_f90/lib_f90_fftw3.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_f90_fftw3.f90 -------------------------------------------------------------------------------- /lib_f90/lib_f90_profile.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_f90_profile.f90 -------------------------------------------------------------------------------- /lib_f90/lib_forpython.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_forpython.f90 -------------------------------------------------------------------------------- /lib_f90/lib_functions.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_functions.f90 -------------------------------------------------------------------------------- /lib_f90/lib_get_var_type.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_get_var_type.f90 -------------------------------------------------------------------------------- /lib_f90/lib_global_flags.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_global_flags.f90 -------------------------------------------------------------------------------- /lib_f90/lib_h5fortran_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_h5fortran_mod.f90 -------------------------------------------------------------------------------- /lib_f90/lib_ik.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_ik.f90 -------------------------------------------------------------------------------- /lib_f90/lib_lanczos.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_lanczos.f90 -------------------------------------------------------------------------------- /lib_f90/lib_load.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_load.f90 -------------------------------------------------------------------------------- /lib_f90/lib_math.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_math.f90 -------------------------------------------------------------------------------- /lib_f90/lib_metric.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_metric.f90 -------------------------------------------------------------------------------- /lib_f90/lib_nx_read.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_nx_read.f90 -------------------------------------------------------------------------------- /lib_f90/lib_nx_transfer_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_nx_transfer_mod.f90 -------------------------------------------------------------------------------- /lib_f90/lib_nx_write.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_nx_write.f90 -------------------------------------------------------------------------------- /lib_f90/lib_timer.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_timer.f90 -------------------------------------------------------------------------------- /lib_f90/lib_timer_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_timer_mod.f90 -------------------------------------------------------------------------------- /lib_f90/lib_trans.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_trans.f90 -------------------------------------------------------------------------------- /lib_f90/lib_unified_chars_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_unified_chars_mod.f90 -------------------------------------------------------------------------------- /lib_f90/lib_upd_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_upd_mod.f90 -------------------------------------------------------------------------------- /lib_f90/lib_use_coor.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_use_coor.f90 -------------------------------------------------------------------------------- /lib_f90/lib_weights.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_weights.f90 -------------------------------------------------------------------------------- /lib_f90/lib_write_debug.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/lib_write_debug.f90 -------------------------------------------------------------------------------- /lib_f90/macro.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/macro.f90 -------------------------------------------------------------------------------- /lib_f90/macro_internal.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/macro_internal.f90 -------------------------------------------------------------------------------- /lib_f90/macro_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/macro_mod.f90 -------------------------------------------------------------------------------- /lib_f90/map_1dtofield.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/map_1dtofield.f90 -------------------------------------------------------------------------------- /lib_f90/math_sup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/math_sup.f90 -------------------------------------------------------------------------------- /lib_f90/matrix_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/matrix_mod.f90 -------------------------------------------------------------------------------- /lib_f90/memory.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/memory.f90 -------------------------------------------------------------------------------- /lib_f90/mpi_slave_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/mpi_slave_mod.f90 -------------------------------------------------------------------------------- /lib_f90/mrc_data.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/mrc_data.f90 -------------------------------------------------------------------------------- /lib_f90/op_linux.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/op_linux.f90 -------------------------------------------------------------------------------- /lib_f90/op_macos.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/op_macos.f90 -------------------------------------------------------------------------------- /lib_f90/op_windows.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/op_windows.f90 -------------------------------------------------------------------------------- /lib_f90/operating_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/operating_mod.f90 -------------------------------------------------------------------------------- /lib_f90/parallel_CUDA.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/parallel_CUDA.f90 -------------------------------------------------------------------------------- /lib_f90/parallel_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/parallel_mod.f90 -------------------------------------------------------------------------------- /lib_f90/parallel_none.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/parallel_none.f90 -------------------------------------------------------------------------------- /lib_f90/param_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/param_mod.f90 -------------------------------------------------------------------------------- /lib_f90/precision_command_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/precision_command_mod.f90 -------------------------------------------------------------------------------- /lib_f90/precision_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/precision_mod.f90 -------------------------------------------------------------------------------- /lib_f90/profile_tof.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/profile_tof.f90 -------------------------------------------------------------------------------- /lib_f90/prompt_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/prompt_mod.f90 -------------------------------------------------------------------------------- /lib_f90/random.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/random.f90 -------------------------------------------------------------------------------- /lib_f90/random_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/random_mod.f90 -------------------------------------------------------------------------------- /lib_f90/random_state_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/random_state_mod.f90 -------------------------------------------------------------------------------- /lib_f90/refine_control.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/refine_control.f90 -------------------------------------------------------------------------------- /lib_f90/refine_data_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/refine_data_mod.f90 -------------------------------------------------------------------------------- /lib_f90/refine_load.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/refine_load.f90 -------------------------------------------------------------------------------- /lib_f90/refine_params.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/refine_params.f90 -------------------------------------------------------------------------------- /lib_f90/remote.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/remote.f90 -------------------------------------------------------------------------------- /lib_f90/reserved_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/reserved_mod.f90 -------------------------------------------------------------------------------- /lib_f90/search_string_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/search_string_mod.f90 -------------------------------------------------------------------------------- /lib_f90/send_get.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/send_get.f90 -------------------------------------------------------------------------------- /lib_f90/set_sub_generic_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/set_sub_generic_mod.f90 -------------------------------------------------------------------------------- /lib_f90/sine_table.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/sine_table.f90 -------------------------------------------------------------------------------- /lib_f90/sockets_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/sockets_mod.f90 -------------------------------------------------------------------------------- /lib_f90/sorting.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/sorting.f90 -------------------------------------------------------------------------------- /lib_f90/spline_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/spline_mod.f90 -------------------------------------------------------------------------------- /lib_f90/str_comp_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/str_comp_mod.f90 -------------------------------------------------------------------------------- /lib_f90/string_convert_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/string_convert_mod.f90 -------------------------------------------------------------------------------- /lib_f90/string_extract_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/string_extract_mod.f90 -------------------------------------------------------------------------------- /lib_f90/sup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/sup.f90 -------------------------------------------------------------------------------- /lib_f90/support_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/support_mod.f90 -------------------------------------------------------------------------------- /lib_f90/sys_gfortran.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/sys_gfortran.f90 -------------------------------------------------------------------------------- /lib_f90/sys_intel.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/sys_intel.f90 -------------------------------------------------------------------------------- /lib_f90/sys_mac.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/sys_mac.f90 -------------------------------------------------------------------------------- /lib_f90/sys_pgi.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/sys_pgi.f90 -------------------------------------------------------------------------------- /lib_f90/take_param_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/take_param_mod.f90 -------------------------------------------------------------------------------- /lib_f90/terminal_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/terminal_mod.f90 -------------------------------------------------------------------------------- /lib_f90/times_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/times_mod.f90 -------------------------------------------------------------------------------- /lib_f90/trig_degree_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/trig_degree_mod.f90 -------------------------------------------------------------------------------- /lib_f90/unified_read.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/unified_read.f90 -------------------------------------------------------------------------------- /lib_f90/unified_write.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/unified_write.f90 -------------------------------------------------------------------------------- /lib_f90/variable_array_calc.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/variable_array_calc.f90 -------------------------------------------------------------------------------- /lib_f90/variable_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/variable_mod.f90 -------------------------------------------------------------------------------- /lib_f90/variable_test.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/variable_test.f90 -------------------------------------------------------------------------------- /lib_f90/version.inc.template: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/version.inc.template -------------------------------------------------------------------------------- /lib_f90/win32-glob.c: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/win32-glob.c -------------------------------------------------------------------------------- /lib_f90/win32-glob.h: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/win32-glob.h -------------------------------------------------------------------------------- /lib_f90/wink_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/lib_f90/wink_mod.f90 -------------------------------------------------------------------------------- /mixscat/examples/CeCe.res: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/CeCe.res -------------------------------------------------------------------------------- /mixscat/examples/CeCe_new_diff.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/CeCe_new_diff.gr -------------------------------------------------------------------------------- /mixscat/examples/CeF.res: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/CeF.res -------------------------------------------------------------------------------- /mixscat/examples/CeF3_Bulk_npdf_03902.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/CeF3_Bulk_npdf_03902.gr -------------------------------------------------------------------------------- /mixscat/examples/CeF3_bulk_binned.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/CeF3_bulk_binned.gr -------------------------------------------------------------------------------- /mixscat/examples/CeF3_fake_N.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/CeF3_fake_N.gr -------------------------------------------------------------------------------- /mixscat/examples/CeF3_fake_X.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/CeF3_fake_X.gr -------------------------------------------------------------------------------- /mixscat/examples/CeF3_structure.cif: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/CeF3_structure.cif -------------------------------------------------------------------------------- /mixscat/examples/CeF_new_diff.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/CeF_new_diff.gr -------------------------------------------------------------------------------- /mixscat/examples/FF_new_diff.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/FF_new_diff.gr -------------------------------------------------------------------------------- /mixscat/examples/cece.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/cece.gr -------------------------------------------------------------------------------- /mixscat/examples/cece.ma: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/cece.ma -------------------------------------------------------------------------------- /mixscat/examples/cef.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/cef.gr -------------------------------------------------------------------------------- /mixscat/examples/cef.ma: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/cef.ma -------------------------------------------------------------------------------- /mixscat/examples/cef3.cll: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/cef3.cll -------------------------------------------------------------------------------- /mixscat/examples/fake.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/fake.mac -------------------------------------------------------------------------------- /mixscat/examples/ff.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/ff.gr -------------------------------------------------------------------------------- /mixscat/examples/ff.ma: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/ff.ma -------------------------------------------------------------------------------- /mixscat/examples/ff.res: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/ff.res -------------------------------------------------------------------------------- /mixscat/examples/p.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/p.mac -------------------------------------------------------------------------------- /mixscat/examples/pdf.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/pdf.mac -------------------------------------------------------------------------------- /mixscat/examples/pma.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/pma.mac -------------------------------------------------------------------------------- /mixscat/examples/test.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/test.mac -------------------------------------------------------------------------------- /mixscat/examples/tot.gr: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/tot.gr -------------------------------------------------------------------------------- /mixscat/examples/w_CeCe.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/w_CeCe.mac -------------------------------------------------------------------------------- /mixscat/examples/w_CeF.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/w_CeF.mac -------------------------------------------------------------------------------- /mixscat/examples/w_FF.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/w_FF.mac -------------------------------------------------------------------------------- /mixscat/examples/wn_CeCe.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/wn_CeCe.mac -------------------------------------------------------------------------------- /mixscat/examples/wn_CeF.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/wn_CeF.mac -------------------------------------------------------------------------------- /mixscat/examples/wn_FF.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/examples/wn_FF.mac -------------------------------------------------------------------------------- /mixscat/prog/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/CMakeLists.txt -------------------------------------------------------------------------------- /mixscat/prog/appl_mix.hlp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/appl_mix.hlp -------------------------------------------------------------------------------- /mixscat/prog/blk_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/blk_appl.f90 -------------------------------------------------------------------------------- /mixscat/prog/config_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/config_mod.f90 -------------------------------------------------------------------------------- /mixscat/prog/err_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/err_appl.f90 -------------------------------------------------------------------------------- /mixscat/prog/exit.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/exit.f90 -------------------------------------------------------------------------------- /mixscat/prog/fit.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/fit.f90 -------------------------------------------------------------------------------- /mixscat/prog/kdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/kdo.f90 -------------------------------------------------------------------------------- /mixscat/prog/lazy.f: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/lazy.f -------------------------------------------------------------------------------- /mixscat/prog/load.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/load.f90 -------------------------------------------------------------------------------- /mixscat/prog/mixscat.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/mixscat.f90 -------------------------------------------------------------------------------- /mixscat/prog/mixscat_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/mixscat_mod.f90 -------------------------------------------------------------------------------- /mixscat/prog/save.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/save.f90 -------------------------------------------------------------------------------- /mixscat/prog/set.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/set.f90 -------------------------------------------------------------------------------- /mixscat/prog/show.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/show.f90 -------------------------------------------------------------------------------- /mixscat/prog/sysmac/systest.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/sysmac/systest.mac -------------------------------------------------------------------------------- /mixscat/prog/upd_par.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/upd_par.f90 -------------------------------------------------------------------------------- /mixscat/prog/weights.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/mixscat/prog/weights.f90 -------------------------------------------------------------------------------- /nexus/NXUmodule.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/nexus/NXUmodule.f90 -------------------------------------------------------------------------------- /nexus/NXmodule.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/nexus/NXmodule.f90 -------------------------------------------------------------------------------- /python/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/CMakeLists.txt -------------------------------------------------------------------------------- /python/Notebooks/APITests.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/APITests.ipynb -------------------------------------------------------------------------------- /python/Notebooks/PowderPlotting.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/PowderPlotting.ipynb -------------------------------------------------------------------------------- /python/Notebooks/demo.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/demo.mac -------------------------------------------------------------------------------- /python/Notebooks/one.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/one.mac -------------------------------------------------------------------------------- /python/Notebooks/plot3d.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/plot3d.mac -------------------------------------------------------------------------------- /python/Notebooks/pow.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/pow.py -------------------------------------------------------------------------------- /python/Notebooks/powder.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/powder.mac -------------------------------------------------------------------------------- /python/Notebooks/primitive.cell: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/primitive.cell -------------------------------------------------------------------------------- /python/Notebooks/test.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/test.py -------------------------------------------------------------------------------- /python/Notebooks/two.mac: -------------------------------------------------------------------------------- 1 | eval test 2 | echo "Woohoo" 3 | -------------------------------------------------------------------------------- /python/Notebooks/vartest.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/Notebooks/vartest.mac -------------------------------------------------------------------------------- /python/suite_python.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/python/suite_python.f90 -------------------------------------------------------------------------------- /refine/prog/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/CMakeLists.txt -------------------------------------------------------------------------------- /refine/prog/appl_ref.hlp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/appl_ref.hlp -------------------------------------------------------------------------------- /refine/prog/refine_add_param.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_add_param.f90 -------------------------------------------------------------------------------- /refine/prog/refine_allocate_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_allocate_appl.f90 -------------------------------------------------------------------------------- /refine/prog/refine_blk_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_blk_appl.f90 -------------------------------------------------------------------------------- /refine/prog/refine_branch.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_branch.f90 -------------------------------------------------------------------------------- /refine/prog/refine_constraint.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_constraint.f90 -------------------------------------------------------------------------------- /refine/prog/refine_control.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_control.f90 -------------------------------------------------------------------------------- /refine/prog/refine_current.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_current.f90 -------------------------------------------------------------------------------- /refine/prog/refine_data_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_data_mod.f90 -------------------------------------------------------------------------------- /refine/prog/refine_do_exit.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_do_exit.f90 -------------------------------------------------------------------------------- /refine/prog/refine_err_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_err_appl.f90 -------------------------------------------------------------------------------- /refine/prog/refine_fit_erg.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_fit_erg.f90 -------------------------------------------------------------------------------- /refine/prog/refine_fit_mache_kdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_fit_mache_kdo.f90 -------------------------------------------------------------------------------- /refine/prog/refine_fit_set_sub_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_fit_set_sub_mod.f90 -------------------------------------------------------------------------------- /refine/prog/refine_fix.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_fix.f90 -------------------------------------------------------------------------------- /refine/prog/refine_head_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_head_mod.f90 -------------------------------------------------------------------------------- /refine/prog/refine_kdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_kdo.f90 -------------------------------------------------------------------------------- /refine/prog/refine_load.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_load.f90 -------------------------------------------------------------------------------- /refine/prog/refine_log_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_log_mod.f90 -------------------------------------------------------------------------------- /refine/prog/refine_loop.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_loop.f90 -------------------------------------------------------------------------------- /refine/prog/refine_loop_mpi.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_loop_mpi.f90 -------------------------------------------------------------------------------- /refine/prog/refine_mac_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_mac_mod.f90 -------------------------------------------------------------------------------- /refine/prog/refine_params.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_params.f90 -------------------------------------------------------------------------------- /refine/prog/refine_random_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_random_mod.f90 -------------------------------------------------------------------------------- /refine/prog/refine_reset.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_reset.f90 -------------------------------------------------------------------------------- /refine/prog/refine_run.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_run.f90 -------------------------------------------------------------------------------- /refine/prog/refine_run_mpi_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_run_mpi_mod.f90 -------------------------------------------------------------------------------- /refine/prog/refine_set.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_set.f90 -------------------------------------------------------------------------------- /refine/prog/refine_set_param.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_set_param.f90 -------------------------------------------------------------------------------- /refine/prog/refine_setup.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_setup.f90 -------------------------------------------------------------------------------- /refine/prog/refine_setup_sub.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_setup_sub.f90 -------------------------------------------------------------------------------- /refine/prog/refine_show.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_show.f90 -------------------------------------------------------------------------------- /refine/prog/refine_upd_par.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/refine_upd_par.f90 -------------------------------------------------------------------------------- /refine/prog/sysmac/systest.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/refine/prog/sysmac/systest.mac -------------------------------------------------------------------------------- /release_notes.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/release_notes.txt -------------------------------------------------------------------------------- /scripts/MACconfig.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/scripts/MACconfig.sh -------------------------------------------------------------------------------- /scripts/setup.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/scripts/setup.sh -------------------------------------------------------------------------------- /suite/prog/CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/CMakeLists.txt -------------------------------------------------------------------------------- /suite/prog/appl_suite.hlp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/appl_suite.hlp -------------------------------------------------------------------------------- /suite/prog/suite.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite.f90 -------------------------------------------------------------------------------- /suite/prog/suite_branch.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_branch.f90 -------------------------------------------------------------------------------- /suite/prog/suite_err_appl.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_err_appl.f90 -------------------------------------------------------------------------------- /suite/prog/suite_execute_cost.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_execute_cost.f90 -------------------------------------------------------------------------------- /suite/prog/suite_exit.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_exit.f90 -------------------------------------------------------------------------------- /suite/prog/suite_init_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_init_mod.f90 -------------------------------------------------------------------------------- /suite/prog/suite_kdo.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_kdo.f90 -------------------------------------------------------------------------------- /suite/prog/suite_loop.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_loop.f90 -------------------------------------------------------------------------------- /suite/prog/suite_out_file.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_out_file.f90 -------------------------------------------------------------------------------- /suite/prog/suite_parallel.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_parallel.f90 -------------------------------------------------------------------------------- /suite/prog/suite_pdf_file.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_pdf_file.f90 -------------------------------------------------------------------------------- /suite/prog/suite_powder_file.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_powder_file.f90 -------------------------------------------------------------------------------- /suite/prog/suite_set_sub_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_set_sub_mod.f90 -------------------------------------------------------------------------------- /suite/prog/suite_setup_mod.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_setup_mod.f90 -------------------------------------------------------------------------------- /suite/prog/suite_top.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_top.f90 -------------------------------------------------------------------------------- /suite/prog/suite_upd_par.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/suite_upd_par.f90 -------------------------------------------------------------------------------- /suite/prog/sysmac/systest.mac: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/suite/prog/sysmac/systest.mac -------------------------------------------------------------------------------- /tools/convert2f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/tools/convert2f90 -------------------------------------------------------------------------------- /tools/convert_inc2f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/tools/convert_inc2f90 -------------------------------------------------------------------------------- /tools/create_dependency_list: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/tools/create_dependency_list -------------------------------------------------------------------------------- /tools/make_dep: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/tools/make_dep -------------------------------------------------------------------------------- /tools/make_dep.f90: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/tools/make_dep.f90 -------------------------------------------------------------------------------- /tools/makedep.pl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/tools/makedep.pl -------------------------------------------------------------------------------- /tools/substitute_end_inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/tools/substitute_end_inc -------------------------------------------------------------------------------- /tools/substitute_inc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/tools/substitute_inc -------------------------------------------------------------------------------- /tools/substitute_keywords: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tproffen/DiffuseCode/HEAD/tools/substitute_keywords --------------------------------------------------------------------------------