├── .gitignore ├── html └── Readme ├── src ├── Makefile ├── cg_utils.h ├── config.h ├── constants.h ├── globals.h ├── imd.c ├── imd.h ├── imd.i ├── imd.py ├── imd_ada.c ├── imd_alloc.c ├── imd_bboost.c ├── imd_cbe.h ├── imd_cbe_calc_ppu.c ├── imd_cbe_calc_spu.c ├── imd_cbe_util.c ├── imd_cg.c ├── imd_cna.c ├── imd_comm_force_2d.c ├── imd_comm_force_3d.c ├── imd_correl.c ├── imd_deform.c ├── imd_distrib.c ├── imd_epitax.c ├── imd_extpot.c ├── imd_fefl.c ├── imd_fix_cells_3d.c ├── imd_forces.c ├── imd_forces_cbe.c ├── imd_forces_covalent.c ├── imd_forces_eam2.c ├── imd_forces_ewald.c ├── imd_forces_fcs.c ├── imd_forces_kim.c ├── imd_forces_meam.c ├── imd_forces_nbl.c ├── imd_forces_uniax.c ├── imd_gay_berne.c ├── imd_generate.c ├── imd_geom_2d.c ├── imd_geom_3d.c ├── imd_geom_mpi_2d.c ├── imd_geom_mpi_3d.c ├── imd_integrate.c ├── imd_io.c ├── imd_io_2d.c ├── imd_io_3d.c ├── imd_laser.c ├── imd_laser_profiles.c ├── imd_loadBalance.c ├── imd_loadBalance_direct.c ├── imd_main_2d.c ├── imd_main_3d.c ├── imd_main_mpi_2d.c ├── imd_main_mpi_3d.c ├── imd_main_risc_2d.c ├── imd_main_risc_3d.c ├── imd_main_vec_3d.c ├── imd_maxwell.c ├── imd_misc.c ├── imd_mpi_util.c ├── imd_neb.c ├── imd_nyeTensorAnalysis_3d.c ├── imd_param.c ├── imd_pictures_2d.c ├── imd_pictures_3d.c ├── imd_potential.c ├── imd_qc.c ├── imd_sm.c ├── imd_time.c ├── imd_transport.c ├── imd_ttm.c ├── jvis_imd.c ├── makros.h ├── potaccess.h ├── prototypes.h ├── py_imd.c ├── socket_io.c ├── socket_io.h ├── sockets.h ├── socktest.c ├── sockutil.c ├── sockutil.h ├── spu.c ├── types.h └── version.sh └── util ├── Makefile ├── atcon.c ├── atdist.c ├── catfiles.csh ├── catfiles.sh ├── change_name_uv ├── conf2conf.c ├── conf_tools.c ├── conf_tools.h ├── cutpot.c ├── diffpat.c ├── dist2ascii.c ├── dist2hist.c ├── dist2ppm.c ├── dist2rvf.c ├── dist2volume.c ├── dist_extract.c ├── dist_tools.c ├── dist_tools.h ├── dynsf.c ├── endian.c ├── fft.c ├── fix_header.c ├── float2byte.c ├── hccorr.c ├── hcprof.c ├── imd2cfg.perl ├── imd2imd ├── imd2nc.py ├── imd2ppm.c ├── imd_angle.c ├── imd_cna.c ├── imd_conn.c ├── imd_coord.c ├── imd_dist2pgm.perl ├── imd_dist2ppm.c ├── imd_elco.c ├── imd_elco_eam.c ├── imd_elco_keating.c ├── imd_elco_pair.c ├── imd_elco_stiweb.c ├── imd_elco_tersoff.c ├── imd_mklj.c ├── imd_pair.c ├── imd_power.c ├── imd_ps.c ├── imd_ps_main.c ├── imd_remove_atoms.c ├── imd_ring.c ├── imd_strain.c ├── imd_stress.c ├── imd_torsion.c ├── make_config.c ├── misc.c ├── misc.h ├── param.c ├── param.h ├── potaccess.h ├── ppm_on_ppm.c ├── procdata.c ├── rav ├── sample2dist.c ├── sqd2hist.c ├── util.h ├── util_common.c ├── util_param.c ├── vasp2atdist.c ├── vasp2chkpt.c └── vasp2msqd.c /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/itapmd/imd/HEAD/.gitignore -------------------------------------------------------------------------------- /html/Readme: 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