GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis  111
Data Types | Modules | Functions/Subroutines
atomic_basis_mod.f90 File Reference

Modules

module  atomic_basis_gbl
 

Functions/Subroutines

subroutine atomic_basis_gbl::generate_shell_indices (this)
 
subroutine atomic_basis_gbl::two_electron_integrals (this, integral_storage, integral_options)
 
pure subroutine atomic_basis_gbl::is_2p_continuum_is_CCTT (ij, kl, is_CC, is_TT, is_2p_continuum, is_CCTT)
 
subroutine atomic_basis_gbl::shell_quartet_two_electron_integrals (this, ij, kl, integral_options, int_index, integrals, number_of_shell_integrals)
 
subroutine atomic_basis_gbl::normalize_continuum (this, a)
 
integer function, dimension(size(bf_indices, 2)) atomic_basis_gbl::integral_index (this, integral_type, bf_indices)
 
subroutine atomic_basis_gbl::assemble_overlap_matrix (this, ao_integrals, overlap_matrix)
 
character(len=line_len) function atomic_basis_gbl::get_basis_name (this)
 
logical function atomic_basis_gbl::is_initialized (this)
 
logical function atomic_basis_gbl::contains_btos (this)