Searched defs:box_atoms_new (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_current.F | 1578 SUBROUTINE box_atoms_new(current_env, qs_env, box) subroutine
1583 CHARACTER(LEN=*), PARAMETER :: routineN = 'box_atoms_new', routineP = moduleN//':'//routineN argument
1585 INTEGER :: handle, i, iatom, ibeg, ibox, iend, &
1586 ifind, ii, imax, imin, j, jatom, jbox, &
1587 jmax, jmin, k, kbox, kmax, kmin, &
1588 natms, natms_local
1589 REAL(dp) :: gauge_atom_radius, offset(3), scale
1590 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: ratom
1592 REAL(kind=dp) :: box_center(3), box_center_wrap(3), &
1593 box_size_guess, r(3)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_current.F | 1761 SUBROUTINE box_atoms_new(current_env, qs_env, box) subroutine
1766 CHARACTER(LEN=*), PARAMETER :: routineN = 'box_atoms_new', routineP = moduleN//':'//routineN argument
1768 INTEGER :: handle, i, iatom, ibeg, ibox, iend, &
1769 ifind, ii, imax, imin, j, jatom, jbox, &
1770 jmax, jmin, k, kbox, kmax, kmin, &
1771 natms, natms_local
1772 REAL(dp) :: gauge_atom_radius, offset(3), scale
1773 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: ratom
1775 REAL(kind=dp) :: box_center(3), box_center_wrap(3), &
1776 box_size_guess, r(3)
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