GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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Wigner3j() :
wigner_cf_gbl
Wigner_3j() :
wigner_cf_gbl
Wigner_6j() :
wigner_cf_gbl
wp_arth() :
quadrature_module_gbl
wp_bsgq8() :
quadrature_module_gbl
wp_bssgq8() :
quadrature_module_gbl
wp_eval_radial_free_bspline() :
bto_gto_integrals_mod
write_all_orbitals() :
molden_gbl
write_bdg() :
basis_data_generic_gbl
write_BTO() :
bspline_grid_gbl
write_BTO_shell() :
basis_data_generic_gbl
write_cgto() :
gto_routines_gbl
write_CGTO_shell() :
basis_data_generic_gbl
write_CGTO_shell_pw_expansion_obj() :
cgto_pw_expansions_gbl
write_geometry_obj() :
symmetry_gbl
write_gto_basis() :
molden_gbl
write_molden_dyson_orbitals() :
ukrmol_interface_gbl
write_molden_geometry() :
molden_gbl
write_orbital() :
orbital_routines_gbl
write_orbital_data() :
basis_data_generic_gbl
write_Y_lm_to_file() :
cgto_pw_expansions_gbl
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1.8.20