GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
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basis_data_generic_mod.f90 File Reference

Data Types

type  basis_data_generic_gbl::shell_data_obj
interface  basis_data_generic_gbl::check_intf
type  basis_data_generic_gbl::CGTO_shell_data_obj
type  basis_data_generic_gbl::BTO_shell_data_obj
type  basis_data_generic_gbl::orbital_data_obj
type  basis_data_generic_gbl::basis_data_generic_obj
interface  basis_data_generic_gbl::init_bdg_intf

Modules

module  basis_data_generic_gbl

Functions/Subroutines

real(kind=cfp) function rad_cgto (radius, cgto_shell, c_first, c_last)

Function/Subroutine Documentation

◆ rad_cgto()

real(kind=cfp) function estimate_CGTO_radius::rad_cgto ( real(kind=cfp), intent(in) radius,
class(cgto_shell_data_obj), intent(in) cgto_shell,
integer, intent(in) c_first,
integer, intent(in) c_last )
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