(git:0de0cc2)
qs_energy_matrix_w.F File Reference

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Modules

module  qs_energy_matrix_w
 Utility subroutine for qs energy calculation.
 

Functions/Subroutines

subroutine, public qs_energy_matrix_w::qs_energies_compute_w (qs_env, calc_forces)
 Refactoring of qs_energies_scf. Moves computation of matrix_w into separate subroutine. More...