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Searched refs:core_center (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpme_tools.F43 SUBROUTINE set_list(part, npart, center, p1, rs, ipart, core_center) argument
51 INTEGER, DIMENSION(:, :), OPTIONAL, POINTER :: core_center local
80 IF (part(ipart)%shell_index /= 0 .AND. PRESENT(core_center)) THEN
81 IF (in_slice(core_center(:, part(ipart)%shell_index), lb, ub)) THEN
H A Dspme.F114 INTEGER, ALLOCATABLE, DIMENSION(:, :) :: center, core_center, shell_center local
164 ALLOCATE (core_center(3, nshell))
165 CALL get_center(core_particle_set, box, core_center, npts, n)
201 CALL set_list(core_particle_set, nshell, core_center, p1_shell, &
208 CALL dg_sum_patch(rden, rhos, core_center(:, p1_shell))
282 CALL set_list(core_particle_set, nshell, core_center, p1_shell, rden, ipart)
286 CALL dg_sum_patch_force_1d(rpot, rhos, core_center(:, p1_shell), fat1)
407 CALL set_list(core_particle_set, nshell, core_center, p1_shell, &
415 CALL dg_sum_patch_force_3d(drpot, rhos, core_center(:, p1_shell), fat)
439 IF (ALLOCATED(core_center)) THEN
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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpme_tools.F43 SUBROUTINE set_list(part, npart, center, p1, rs, ipart, core_center) argument
51 INTEGER, DIMENSION(:, :), OPTIONAL, POINTER :: core_center local
80 IF (part(ipart)%shell_index /= 0 .AND. PRESENT(core_center)) THEN
81 IF (in_slice(core_center(:, part(ipart)%shell_index), lb, ub)) THEN
H A Dspme.F114 INTEGER, ALLOCATABLE, DIMENSION(:, :) :: center, core_center, shell_center local
164 ALLOCATE (core_center(3, nshell))
165 CALL get_center(core_particle_set, box, core_center, npts, n)
201 CALL set_list(core_particle_set, nshell, core_center, p1_shell, &
208 CALL dg_sum_patch(rden, rhos, core_center(:, p1_shell))
282 CALL set_list(core_particle_set, nshell, core_center, p1_shell, rden, ipart)
286 CALL dg_sum_patch_force_1d(rpot, rhos, core_center(:, p1_shell), fat1)
407 CALL set_list(core_particle_set, nshell, core_center, p1_shell, &
415 CALL dg_sum_patch_force_3d(drpot, rhos, core_center(:, p1_shell), fat)
439 IF (ALLOCATED(core_center)) THEN
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