File List

Here is a list of all files with brief descriptions:

[detail level 123]

source
programs
basis_read.f90
get_integrals_template.f90
orbitals_to_cube.f90
print_orbital_table.f90
read_fock_blocks.f90
scatci_integrals.f90
temp
bto_gto_integrals_mod.f90
bto_gto_test_routines_mod.f90
bto_integrals_mod.f90
ukrmol_routines.f90
tests
is_centre_symmetric.f90
multiway_merge_float_int.f90
test1_atomic_basis_mod.f90
test2_atomic_basis_mod.f90
test3_atomic_molecular_basis.f90
test4_atomic_basis_mod.f90
test5_atomic_basis_mod.f90
test6_atomic_molecular_basis.f90
test8_atomic_basis_mod.f90
test9_cgto_pw_expansions_mod.f90
xlm_mgvn.f90
vnl_test
const.f90
general_quadrature.f90
precisn.f90
test.f90
test_fig3.f90
test_fig4.f90
utils.f90
vnl_module.f90
atomic_basis_mod.f90
basis_data_generic_mod.f90
BB_shell_mixed_integrals_mod.f90
blas_lapack.F90
bspline_base.f90
bspline_grid_mod.f90
bto_gto_integrals_mod.f90
bto_integrals_mod.f90
cgto_hgp.f90
cgto_integrals.f90
cgto_pw_expansions_mod.f90
common_obj.f90
const.f90
coupling_obj.f90
data_file.f90
eri_sph_coord.f90
file_mapping.c
file_mapping.F90
free_scattering_mod.f90
function_integration.f90
general_quadrature.f90
GG_shell_mixed_integrals_mod.f90
grid_mod.f90
gto_routines.f90
gxg_integrals_mod.f90
integral_indexing.f90
integral_storage_mod.f90
lag_cfs.f90
lebedev.f90
molden_const.f90
molden_mod.f90
molecular_basis_mod.f90
mpi_memory_mod.F90
mpi_mod.F90
orbital_routines.f90
orthogonalization.f90
parallel_arrays.f90
pco_mod.f90
phys_const.f90
precisn.F90
quadrature_module.f90
sort.f90
sparse_block_storage.f90
special_functions.f90
symmetry.f90
ukrmol_interface.f90
utils.f90
wigner_cf.f90