coulomb_integral_interface.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	coulomb_integral_interface::coulomb_integral_context_type

Modules
module	coulomb_integral_interface
	Common interface for two- and three-center Coulomb integrals.

Functions/Subroutines
subroutine, public	coulomb_integral_interface::coulomb_integral_init (context, max_am_2c, max_am_3c)
	Initialize the engines needed by the requested Coulomb integral operations.
subroutine, public	coulomb_integral_interface::coulomb_integral_cleanup (context)
	Release the engines initialized in a Coulomb integral context.
subroutine, public	coulomb_integral_interface::compute_coulomb_2c (context, la_min, la_max, lb_min, lb_max, npgfa, npgfb, zeta, zetb, rpgfa, rpgfb, ra, rb, hab, potential_parameter)
	Evaluate one uncontracted two-center Coulomb integral block.
subroutine, public	coulomb_integral_interface::compute_coulomb_3c (context, la_min, la_max, lb_min, lb_max, lc_min, lc_max, npgfa, npgfb, npgfc, zeta, zetb, zetc, rpgfa, rpgfb, rpgfc, ra, rb, rc, habc, potential_parameter)
	Evaluate one uncontracted three-center Coulomb integral block.