Searched refs:core_center (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | pme_tools.F | 43 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
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H A D | spme.F | 114 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 [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | pme_tools.F | 43 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
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H A D | spme.F | 114 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 [all …]
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