libint_wrapper.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	libint_wrapper::cp_libint_t

Modules
module	libint_wrapper
	Interface to the Libint-Library or a c++ wrapper.

Functions/Subroutines
subroutine, public	libint_wrapper::cp_libint_set_params_eri_screen (libint, a, b, c, d, p, q, w, zetainv, etainv, zetapetainv, rho, m_max, f)
subroutine, public	libint_wrapper::cp_libint_set_params_eri_deriv (libint, a, b, c, d, p, q, w, zeta_a, zeta_b, zeta_c, zeta_d, zetainv, etainv, zetapetainv, rho, m_max, f)
subroutine, public	libint_wrapper::cp_libint_set_params_eri (libint, a, b, c, d, zetainv, etainv, zetapetainv, rho, p, q, w, m_max, f)
subroutine, public	libint_wrapper::cp_libint_get_eris (n_d, n_c, n_b, n_a, lib, p_work, a_mysize)
	...
subroutine, public	libint_wrapper::cp_libint_get_3eris (n_c, n_b, n_a, lib, p_work, a_mysize)
	...
subroutine, public	libint_wrapper::cp_libint_get_3eri_derivs (n_c, n_b, n_a, lib, p_work, a_mysize)
	...
subroutine, public	libint_wrapper::cp_libint_get_2eri_derivs (n_b, n_a, lib, p_work, a_mysize)
	...
subroutine, public	libint_wrapper::cp_libint_get_2eris (n_b, n_a, lib, p_work, a_mysize)
	...
subroutine, public	libint_wrapper::cp_libint_get_derivs (n_d, n_c, n_b, n_a, lib, work_forces, a_mysize)
	...
real(kind=dp) function, public	libint_wrapper::get_ssss_f_val (lib)
subroutine, public	libint_wrapper::cp_libint_init_eri (lib, max_am)
subroutine, public	libint_wrapper::cp_libint_set_contrdepth (lib, contrdepth)
subroutine, public	libint_wrapper::cp_libint_init_eri1 (lib, max_am)
subroutine, public	libint_wrapper::cp_libint_init_3eri (lib, max_am)
subroutine, public	libint_wrapper::cp_libint_init_3eri1 (lib, max_am)
subroutine, public	libint_wrapper::cp_libint_init_2eri1 (lib, max_am)
subroutine, public	libint_wrapper::cp_libint_init_2eri (lib, max_am)
subroutine, public	libint_wrapper::cp_libint_cleanup_eri (lib)
subroutine, public	libint_wrapper::cp_libint_cleanup_eri1 (lib)
subroutine, public	libint_wrapper::cp_libint_cleanup_3eri (lib)
subroutine, public	libint_wrapper::cp_libint_cleanup_3eri1 (lib)
subroutine, public	libint_wrapper::cp_libint_cleanup_2eri1 (lib)
subroutine, public	libint_wrapper::cp_libint_cleanup_2eri (lib)
subroutine, public	libint_wrapper::cp_libint_static_init ()
subroutine, public	libint_wrapper::cp_libint_static_cleanup ()

Variables
integer, parameter, public	libint_wrapper::libint_max_am = 0
integer, parameter, public	libint_wrapper::libderiv_max_am1 = libint_max_am
integer, parameter, public	libint_wrapper::prim_data_f_size = 4*(libint_max_am) + 1
integer, parameter, public	libint_wrapper::build_eri_size = libint_max_am
integer, parameter, public	libint_wrapper::build_deriv1_eri_size = libderiv_max_am1