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+ | List of files related/modified to the Kohn-Sham: | ||
+ | MODULES/ | ||
+ | grid.f90 | ||
+ | interactions.f90 (M) | ||
+ | density.f90 (M) | ||
+ | options.f90 (M) | ||
+ | outputs.f90 (M) | ||
+ | ALLOCATIONS/ | ||
+ | allocate_grid.f90 | ||
+ | allocate_rho.f90 (M) | ||
+ | reallocate_rho.f90 (M) | ||
+ | reallocate_neigh.f90 (M) | ||
+ | ASSEMBLERS/ | ||
+ | assemble_h_ks.f90 | ||
+ | buildh.f90 | ||
+ | getenergy_KS.f90 | ||
+ | FORM_RHO/ | ||
+ | build_rho.f90 | ||
+ | INITIALIZERS/ | ||
+ | initdenmat.f90 | ||
+ | initgrid.f90 | ||
+ | initbasics.f90 (M) | ||
+ | GRID/ | ||
+ | assemble_KS_dcc.f90 | ||
+ | assemble_KS_den.f90 | ||
+ | assemble_KS_den0.f90 | ||
+ | assemble_KS_mat.f90 | ||
+ | assemble_KS_vna.f90 | ||
+ | laplace_fdm.f90 | ||
+ | writeout_charges_KS.f90 | ||
+ | READFILES/ | ||
+ | checksum_options.f90 | ||
+ | read_vna.f90 | ||
+ | read_wf.f90 | ||
+ | readdata_KS.f90 | ||
+ | readgrid.f90 | ||
+ | readinfo.f90 (M) | ||
+ | readparam.f90 (M) | ||
+ | UTIL/ | ||
+ | den2mesh.f90 | ||
+ | ew2mesh.f90 | ||
+ | postscf.f90 (M) | ||
+ | writeout_den.f90 | ||
+ | INTERPOLATERS/ | ||
+ | getpsi.f90 | ||
+ | getvna.f90 | ||
+ | getYlm.f90 | ||
+ | buildspline2_1d.f90 | ||
+ | |||
+ | |||
+ |