Documentation for module lri_forces

Calculates forces for LRIGPW method lri : local resolution of the identity

source: lri_forces.F
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public Subroutines/Functions:

calculates the lri forces
calculates the ri forces

SUBROUTINEcalculate_lri_forces(lri_env, lri_density, qs_env, pmatrix, atomic_kind_set)

calculates the lri forces

Arguments:
POINTER
:: lri_env ...
POINTER
:: lri_density ...
POINTER
:: qs_env ...
POINTER
:: pmatrix(:) density matrix
POINTER
:: atomic_kind_set(:) ...

SUBROUTINEcalculate_ri_forces(lri_env, lri_density, qs_env, pmatrix, atomic_kind_set)

calculates the ri forces

Arguments:
POINTER
:: lri_env ...
POINTER
:: lri_density ...
POINTER
:: qs_env ...
POINTER
:: pmatrix(:) density matrix
POINTER
:: atomic_kind_set(:) ...