GG_shell_mixed_integrals_mod.f90 File Reference

Data Types
type	GG_shell_mixed_integrals_gbl::GG_shell_integrals_obj
	Object that can be used to evaluate mixed BTO/CGTO 2-electron integrals involving at least two shells of CGTOs, i.e. BBGG, BGBG and BGGG classes of integrals. This object can only be used once the grid_r1_r2 from grid_mod has been initialized. More...

Modules
module	GG_shell_mixed_integrals_gbl

Functions/Subroutines
subroutine, public	GG_shell_mixed_integrals_gbl::CMS_CGTO_on_grid (r, n, cgto_shell, cgto_on_grid)
	Evaluates the radial part of a CGTO which is assumed to be sitting on the CMS on the grid of radial points.

Variables
type(real_harmonics_obj)	GG_shell_mixed_integrals_gbl::real_harmonics
	Used to evaluate the real spherical and solid harmonics. PRIVATE FOR ALL THREADS.