GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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File List
Here is a list of all files with brief descriptions:
[detail level
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2
3
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source
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programs
basis_read.f90
print_orbital_table.f90
scatci_integrals.f90
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temp
bto_gto_integrals_mod.f90
bto_gto_test_routines_mod.f90
bto_integrals_mod.f90
ukrmol_routines.f90
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tests
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
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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
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
gto_routines.f90
integral_storage_mod.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
special_functions.f90
symmetry.f90
ukrmol_interface.f90
utils.f90
wigner_cf.f90
Generated on Mon Nov 23 2020 21:09:14 for GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis by
1.8.20