lri_integrals.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	lri_integrals::int_type
type	lri_integrals::dint_type

Modules
module	lri_integrals
	Calculates integrals for LRIGPW method lri : local resolution of the identity.

Functions/Subroutines
subroutine, public	lri_integrals::lri_int (lri_env, lrii, rab, obasa, obasb, fbasa, fbasb, iatom, jatom, ikind, jkind, calculate_forces)
	calcuates the lri integrals using solid harmonic Gaussians
subroutine, public	lri_integrals::lri_int2 (lri_env, lrii, lriint, rab, obasa, obasb, fbasa, fbasb, iatom, jatom, ikind, jkind)
	calcuates the lri integrals using solid harmonic Gaussians
subroutine, public	lri_integrals::lri_dint (lri_env, lrii, rab, obasa, obasb, fbasa, fbasb, iatom, jatom, ikind, jkind, calculate_forces)
	...
subroutine, public	lri_integrals::lri_dint2 (lri_env, lrii, lridint, rab, obasa, obasb, fbasa, fbasb, iatom, jatom, ikind, jkind)
	...
subroutine, public	lri_integrals::allocate_int_type (lriint, lridint, nba, nbb, nfa, nfb, skip_sab, skip_soo, skip_aba, skip_abb, skip_dsab, skip_dsoo, skip_daba, skip_dabb)
	...
subroutine, public	lri_integrals::deallocate_int_type (lriint, lridint)
	...