65 INTEGER,
INTENT(in) :: nspins
66 REAL(kind=
dp),
INTENT(in),
OPTIONAL :: total_rho_core_rspace, total_rho_gspace
68 qs_charges%total_rho_core_rspace = 0.0_dp
69 IF (
PRESENT(total_rho_core_rspace)) &
70 qs_charges%total_rho_core_rspace = total_rho_core_rspace
71 qs_charges%total_rho_gspace = 0.0_dp
72 IF (
PRESENT(total_rho_gspace)) &
73 qs_charges%total_rho_gspace = total_rho_gspace
74 qs_charges%total_rho_soft_gspace = 0.0_dp
75 qs_charges%total_rho0_hard_lebedev = 0.0_dp
76 qs_charges%total_rho_soft_gspace = 0.0_dp
77 qs_charges%background = 0.0_dp
78 ALLOCATE (qs_charges%total_rho1_hard(nspins))
79 qs_charges%total_rho1_hard(:) = 0.0_dp
80 ALLOCATE (qs_charges%total_rho1_soft(nspins))
81 qs_charges%total_rho1_soft(:) = 0.0_dp