(git:e7e05ae)
qs_energy_utils.F File Reference

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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. More...