qs_energy_utils.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_energy_utils
	Utility subroutine for qs energy calculation.

Functions/Subroutines
subroutine, public	qs_energy_utils::qs_energies_properties (qs_env, calc_forces)
	Refactoring of qs_energies_scf. Moves computation of properties into separate subroutine. Calculates energy and if calc_forces then the response vector and some contributions to the force.