Searched defs:hirshfeld_constraint (Results 1 – 2 of 2) sorted by relevance
1122 SUBROUTINE hirshfeld_constraint(qs_env, calc_pot, calculate_forces) subroutine1126 CHARACTER(len=*), PARAMETER :: routineN = 'hirshfeld_constraint', & argument1136 … IF (dft_control%qs_control%cdft .AND. cdft_control%type == outer_scf_hirshfeld_constraint) THEN argument1151 END SUBROUTINE hirshfeld_constraint argument
1121 SUBROUTINE hirshfeld_constraint(qs_env, calc_pot, calculate_forces) subroutine1125 CHARACTER(len=*), PARAMETER :: routineN = 'hirshfeld_constraint', & argument1135 … IF (dft_control%qs_control%cdft .AND. cdft_control%type == outer_scf_hirshfeld_constraint) THEN argument1150 END SUBROUTINE hirshfeld_constraint argument