Searched defs:calculate_jrho_atom (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_atom_current.F | 1411 SUBROUTINE calculate_jrho_atom(current_env, qs_env, iB, idir) subroutine
1416 CHARACTER(LEN=*), PARAMETER :: routineN = 'calculate_jrho_atom', & argument
1419 INTEGER :: iat, iatom, ikind, ispin, jatom, &
1420 natm_gauge, natm_tot, natom, nkind, &
1421 nspins
1422 INTEGER, DIMENSION(2) :: bo
1424 LOGICAL :: do_igaim, gapw, paw_atom
1425 REAL(dp) :: hard_radius, r(3)
1426 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: ratom
1428 TYPE(cell_type), POINTER :: cell
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_atom_current.F | 1411 SUBROUTINE calculate_jrho_atom(current_env, qs_env, iB, idir) subroutine
1416 CHARACTER(LEN=*), PARAMETER :: routineN = 'calculate_jrho_atom', & argument
1419 INTEGER :: iat, iatom, ikind, ispin, jatom, &
1420 natm_gauge, natm_tot, natom, nkind, &
1421 nspins
1422 INTEGER, DIMENSION(2) :: bo
1424 LOGICAL :: do_igaim, gapw, paw_atom
1425 REAL(dp) :: hard_radius, r(3)
1426 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: ratom
1428 TYPE(cell_type), POINTER :: cell
[all …]
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