GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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Directories | |
directory | programs |
directory | temp |
directory | tests |
directory | vnl_test |
Files | |
file | atomic_basis_mod.f90 |
file | basis_data_generic_mod.f90 |
file | blas_lapack.F90 |
file | bspline_base.f90 |
file | bspline_grid_mod.f90 |
file | bto_gto_integrals_mod.f90 |
file | bto_integrals_mod.f90 |
file | cgto_hgp.f90 |
file | cgto_integrals.f90 |
file | cgto_pw_expansions_mod.f90 |
file | common_obj.f90 |
file | const.f90 |
file | coupling_obj.f90 |
file | data_file.f90 |
file | eri_sph_coord.f90 |
file | file_mapping.c |
file | file_mapping.f90 |
file | free_scattering_mod.f90 |
file | function_integration.f90 |
file | general_quadrature.f90 |
file | gto_routines.f90 |
file | integral_storage_mod.f90 |
file | lebedev.f90 |
file | molden_const.f90 |
file | molden_mod.f90 |
file | molecular_basis_mod.f90 |
file | mpi_memory_mod.F90 |
file | mpi_mod.F90 |
file | orbital_routines.f90 |
file | orthogonalization.f90 |
file | parallel_arrays.f90 |
file | pco_mod.f90 |
file | phys_const.f90 |
file | precisn.F90 |
file | quadrature_module.f90 |
file | sort.f90 |
file | special_functions.f90 |
file | symmetry.f90 |
file | ukrmol_interface.f90 |
file | utils.f90 |
file | wigner_cf.f90 |