├── .gitignore ├── README.md ├── docs ├── H_mesh.bind ├── Zmat_appendix.tex ├── acknowledge.tex ├── bind_manual.pdf ├── bind_manual.ps ├── bind_manual.tex ├── bugs.tex ├── charge_iter.ps ├── charge_iter.tex ├── citing.tex ├── cohp.tex ├── distributing.tex ├── enhps.tex ├── figs │ ├── bipyr.homo.eps │ ├── cont_slices.eps │ ├── dihedral.eps │ ├── octahed.homo.eps │ ├── octahed.lumo.eps │ └── real_cont.eps ├── file_contents.tex ├── fit_progs.tex ├── hints.tex ├── input_file.tex ├── lapack.tex ├── mac_version.tex ├── plug_it.tex ├── running.tex ├── sample_file.tex ├── symmetry.tex ├── test2.ps ├── updates.tex ├── utils.tex ├── viewkel.tex ├── whats_new.pdf ├── whats_new.ps └── whats_new.tex ├── examples ├── CoNb4Si ├── CoNb4Si.DOS.Z ├── CoNb4Si.band.Z ├── Cp2Zr ├── Cp2Zr.FMO.Z ├── Cp2Zr.out.Z ├── FeCO4Eth ├── FeCO4Eth.out.Z ├── FeCO4Eth.walsh.Z ├── README ├── Te2Br ├── Te2Br.DMAT.Z ├── Te2Br.band.Z ├── Te2Br.out.Z ├── XeF4 ├── XeF4.FMO.Z ├── XeF4.MO.Z ├── XeF4.out.Z ├── diamond ├── diamond.3s ├── diamond.3s.band.Z ├── diamond.3s.out.Z ├── diamond.band.Z ├── diamond.out.Z ├── ethane.b └── ethane.b.WALSH.Z ├── license.txt ├── tightbind ├── .gitignore ├── CMakeLists.txt ├── COOP_stuff.c ├── DOS_stuff.c ├── FMO_stuff.c ├── K_hamil.c ├── K_overlap_mat.c ├── Makefile ├── README.INSTALL.SRC ├── R_hamil.c ├── R_overlap_mat.c ├── Zmat.c ├── abfns.c ├── avg_props.c ├── bands.c ├── bind.h ├── cboris.c ├── charge_mat.c ├── chg_it.c ├── copyright.h ├── diag.c ├── distance_mat.c ├── driver.c ├── eht_parms.dat ├── eht_parms.h ├── electrostat.c ├── f2c_files │ ├── abfns.c │ ├── cboris.c │ ├── diag.c │ ├── lovlap.c │ └── mov.c ├── fileio.c ├── fortran.h ├── fortran77 │ ├── abfns.f │ ├── cboris.f │ ├── diag.f │ └── lovlap.f ├── genutil.c ├── geom_frags.c ├── globals.c ├── kpoints.c ├── license.txt ├── lovlap.c ├── main.c ├── makefile.AIX4 ├── makefile.HP ├── makefile.IBM ├── makefile.SGI ├── makefile.linux ├── makefile.win32 ├── matrices.c ├── memory.c ├── mod_mulliken.c ├── mov.c ├── muller.c ├── muller_parms.dat ├── mulliken.c ├── netCDF_support.c ├── new3_fileio.c ├── postprocess.c ├── princ_axes.c ├── prototypes.h ├── recip_space.c ├── solid_symmetry.c ├── symmetry.c ├── symmetry.h ├── test_driver.c ├── transforms.c ├── utils │ ├── add_dos.c │ ├── cooperate.c │ ├── dumb_walsh.c │ ├── fit_FCO.c │ ├── fit_FCO.orig.c │ ├── fit_coop.c │ ├── fit_dos.c │ ├── fit_dos.h │ ├── fit_props.h │ ├── fit_walsh.c │ ├── fit_walsh.h │ ├── genutil.c │ ├── grow_xtal.c │ ├── makefile │ ├── makefile.win32 │ ├── matrix_view.c │ ├── moments.c │ ├── perch.c │ ├── sub_dos.c │ └── test.c ├── walsh.c ├── xtal_coords.c ├── zetas.c └── zhegv.f └── viewkel ├── 3D_objects.c ├── 3D_objects.h ├── FMO_diags.c ├── MO_conts.c ├── Mac_Fopen.c ├── Mac_Fopen.h ├── Mac_Hooks.c ├── Mac_Main.c ├── Mac_Menus.c ├── Mac_Window.c ├── Mac_defines.h ├── Mac_protos.h ├── Makefile ├── README.INSTALL.SRC ├── VRML_stuff.h ├── atomic_parms.dat ├── band_graphs.c ├── basic_objects.h ├── button.h ├── buttons.c ├── buttons.h ├── chull.c ├── chull_macros.h ├── cont_plots.c ├── contour.c ├── contour.h ├── copyright.h ├── defines.h ├── enhpost.c ├── fileio.c ├── fit_orbs.c ├── floatparm.xbm ├── function.xbm ├── genutil.c ├── globals.c ├── graph_objects.h ├── graphics.c ├── graphs.c ├── gray0.xbm ├── gray1.xbm ├── gray2.xbm ├── gray3.xbm ├── gray4.xbm ├── gray5.xbm ├── gray6.xbm ├── gray7.xbm ├── gray8.xbm ├── help.c ├── hierarchy.c ├── implicit_polyg.c ├── interface.c ├── labels.c ├── labels.h ├── license.txt ├── main.c ├── makefile.AIX4 ├── makefile.HP ├── makefile.IBM ├── makefile.SGI ├── makefile.linux ├── makefile.win32 ├── manipulate.c ├── mass.xbm ├── matrix_ops.c ├── matrix_ops.h ├── mem_debug.c ├── modal.xbm ├── molecule.c ├── new_atomic_parms.dat ├── orb_defs.h ├── orbitals.c ├── ortho.c ├── param_surf.c ├── particle_ops.c ├── polyhed.c ├── polyhed.h ├── prop_graphs.c ├── prototypes.h ├── ps_stuff.h ├── search.c ├── snapshot.c ├── solid_stuff.c ├── stack.c ├── tek_lib.c ├── toggleoff.xbm 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