qs_matrix_w.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_matrix_w
	Utility subroutine for qs energy calculation.

Functions/Subroutines
subroutine, public	qs_matrix_w::compute_matrix_w (qs_env, calc_forces, include_lowdin_forces)
	Refactoring of qs_energies_scf. Moves computation of matrix_w into separate subroutine.