generic_os_integrals.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	generic_os_integrals
	Calculation of contracted, spherical Gaussian integrals using the (OS) integral scheme. Routines for the following two-center integrals: i) (a|O(r12)|b) where O(r12) is the overlap, coulomb operator etc. ii) (aba) and (abb) s-overlaps.

Functions/Subroutines
subroutine, public	generic_os_integrals::int_operators_r12_ab_os (r12_operator, vab, dvab, rab, fba, fbb, omega, r_cutoff, calculate_forces)
	Calcululates the two-center integrals of the type (a|O(r12)|b) using the OS scheme. More...
subroutine, public	generic_os_integrals::int_overlap_ab_os (sab, dsab, rab, fba, fbb, calculate_forces, debug, dmax)
	calculate overlap integrals (a,b) More...
subroutine, public	generic_os_integrals::int_ra2m_ab_os (sab, dsab, rab, fba, fbb, m, calculate_forces)
	calculate integrals (a|(r-Ra)^(2m)|b) More...
subroutine, public	generic_os_integrals::int_overlap_aba_os (abaint, dabdaint, rab, oba, obb, fba, calculate_forces, debug, dmax)
	calculate integrals (a,b,fa) More...
subroutine, public	generic_os_integrals::int_overlap_abb_os (abbint, dabbint, rab, oba, obb, fbb, calculate_forces, debug, dmax)
	calculate integrals (a,b,fb) More...
subroutine, public	generic_os_integrals::int_overlap_aabb_os (saabb, oba, obb, rab, debug, dmax)
	calculate overlap integrals (aa,bb) More...