qs_linres_epr_utils.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_linres_epr_utils
	g tensor calculation by dfpt Initialization of the epr_env, creation of the special neighbor lists Perturbation Hamiltonians by application of the p and rxp oprtators to psi0 Write output Deallocate everything

Functions/Subroutines
subroutine, public	qs_linres_epr_utils::epr_env_init (epr_env, qs_env)
	Initialize the epr environment.
subroutine, public	qs_linres_epr_utils::epr_env_cleanup (epr_env)
	Deallocate the epr environment.