Searched refs:compute_charge (Results 1 – 2 of 2) sorted by relevance
1169 LOGICAL, ALLOCATABLE, DIMENSION(:) :: compute_charge, is_constraint local1213 ALLOCATE (compute_charge(natom))1214 compute_charge = .FALSE.1246 compute_charge(cdft_control%atoms(i)) = .TRUE.1313 IF (compute_charge(atom_a)) THEN1364 DEALLOCATE (compute_charge)
1168 LOGICAL, ALLOCATABLE, DIMENSION(:) :: compute_charge, is_constraint local1210 ALLOCATE (compute_charge(natom))1211 compute_charge = .FALSE.1243 compute_charge(cdft_control%atoms(i)) = .TRUE.1296 IF (compute_charge(atom_a)) &1342 DEALLOCATE (compute_charge)