lri_environment_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	lri_environment_types::carray
type	lri_environment_types::int_container
type	lri_environment_types::lri_rhoab_type
type	lri_environment_types::lri_int_type
type	lri_environment_types::lri_int_rho_type
type	lri_environment_types::lri_list_type
type	lri_environment_types::lri_environment_type
type	lri_environment_types::lri_kind_type
type	lri_environment_types::lri_force_type
type	lri_environment_types::lri_density_type

Modules
module	lri_environment_types
	contains the types and subroutines for dealing with the lri_env lri : local resolution of the identity

Functions/Subroutines
subroutine, public	lri_environment_types::lri_env_create (lri_env)
	creates and initializes an lri_env
subroutine, public	lri_environment_types::lri_env_release (lri_env)
	releases the given lri_env
subroutine, public	lri_environment_types::lri_density_create (lri_density)
	creates and initializes an lri_density environment
subroutine, public	lri_environment_types::lri_density_release (lri_density)
	releases the given lri_density
subroutine, public	lri_environment_types::allocate_lri_ints (lri_env, lri_ints, nkind)
	allocate lri_ints, matrices that store LRI integrals
subroutine, public	lri_environment_types::allocate_lri_ppl_ints (lri_env, lri_ppl_ints, atomic_kind_set)
	allocate lri_ppl_ints, matrices that store LRI integrals
subroutine, public	lri_environment_types::allocate_lri_ints_rho (lri_env, lri_ints_rho, nkind)
	allocate lri_ints_rho, storing integral for the exact density
subroutine, public	lri_environment_types::allocate_lri_rhos (lri_env, lri_rhos, nspin, nkind)
	creates and initializes lri_rhos
subroutine, public	lri_environment_types::allocate_lri_coefs (lri_env, lri_density, atomic_kind_set)
	creates and initializes lri_coefs
subroutine, public	lri_environment_types::allocate_lri_force_components (lri_force, nfa, nfb)
	creates and initializes lri_force
subroutine, public	lri_environment_types::deallocate_bas_properties (lri_env)
	deallocates one-center overlap integrals, integral of ri basis and scon matrices
subroutine, public	lri_environment_types::deallocate_lri_ints (lri_ints)
	deallocates the given lri_ints
subroutine, public	lri_environment_types::deallocate_lri_ppl_ints (lri_ppl_ints)
	deallocates the given lri_ppl_ints
subroutine, public	lri_environment_types::deallocate_lri_ints_rho (lri_ints_rho)
	deallocates the given lri_ints_rho
subroutine, public	lri_environment_types::deallocate_lri_force_components (lri_force)
	releases the given lri_force_type