Searched defs:collocate_gauge (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_current.F | 1420 TYPE(realspace_grid_type), POINTER :: rs_grid_x, rs_grid_y, rs_grid_z
1422 … INTEGER :: i, iatom, ibeg, ibox, iend, imax, imin, &
1423 j, jatom, jbox, jmax, jmin, k, kbox, &
1424 kmax, kmin, lb(3), lb_local(3), natms, &
1426 REAL(KIND=dp) :: ab, buf_tmp, dist, dr(3), &
1427 gauge_atom_radius, offset(3), pa, pb, &
1428 point(3), pra(3), r(3), res(3), summe, &
1429 tmp, x, y, z local
1430 REAL(kind=dp), ALLOCATABLE, DIMENSION(:) :: buf, nrm_atms_pnt
1431 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: atms_pnt, ratom
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_current.F | 1603 TYPE(realspace_grid_type), POINTER :: rs_grid_x, rs_grid_y, rs_grid_z
1605 … INTEGER :: i, iatom, ibeg, ibox, iend, imax, imin, &
1606 j, jatom, jbox, jmax, jmin, k, kbox, &
1607 kmax, kmin, lb(3), lb_local(3), natms, &
1609 REAL(KIND=dp) :: ab, buf_tmp, dist, dr(3), &
1610 gauge_atom_radius, offset(3), pa, pb, &
1611 point(3), pra(3), r(3), res(3), summe, &
1612 tmp, x, y, z local
1613 REAL(kind=dp), ALLOCATABLE, DIMENSION(:) :: buf, nrm_atms_pnt
1614 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: atms_pnt, ratom
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