| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | kpoint_types.F | 142 LOGICAL :: full_grid component
196 kpoint%full_grid = .FALSE.
318 … full_grid, use_real_wfn, eps_geo, parallel_group_size, kp_range, nkp, xkp, wkp, & argument
325 LOGICAL, OPTIONAL :: symmetry, verbose, full_grid, & local
359 IF (PRESENT(full_grid)) full_grid = kpoint%full_grid
424 … full_grid, use_real_wfn, eps_geo, parallel_group_size, kp_range, nkp, xkp, wkp, & argument
431 LOGICAL, OPTIONAL :: symmetry, verbose, full_grid, & local
465 IF (PRESENT(full_grid)) kpoint%full_grid = full_grid
587 CALL section_vals_val_get(kpoint_section, "FULL_GRID", l_val=kpoint%full_grid)
663 IF (kpoint%full_grid) THEN
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| H A D | cryssym.F | 211 SUBROUTINE kpoint_gen(csym, nk, symm, shift, full_grid) argument
216 LOGICAL, INTENT(IN), OPTIONAL :: full_grid local
242 IF (PRESENT(full_grid)) THEN
243 fullmesh = full_grid
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| H A D | qs_gamma2kp.F | 75 kpoint%full_grid = .TRUE.
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| H A D | qs_band_structure.F | 349 kpoint%full_grid = .FALSE.
371 kpoint%full_grid = .TRUE.
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| H A D | kpoint_methods.F | 171 full_grid=kpoint%full_grid)
1037 IF (.NOT. kpoint%full_grid) THEN
1168 IF (.NOT. kpoint%full_grid) THEN
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| H A D | qs_wannier90.F | 248 kpoint%full_grid = .TRUE.
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| H A D | mp2_integrals.F | 1349 kpoints%full_grid = .FALSE.
1352 kpoints%full_grid = .TRUE.
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| H A D | rpa_gw.F | 2672 kpoints%full_grid = .FALSE.
2693 kpoints%full_grid = .TRUE.
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | kpoint_types.F | 142 LOGICAL :: full_grid component
196 kpoint%full_grid = .FALSE.
318 … full_grid, use_real_wfn, eps_geo, parallel_group_size, kp_range, nkp, xkp, wkp, & argument
325 LOGICAL, OPTIONAL :: symmetry, verbose, full_grid, & local
359 IF (PRESENT(full_grid)) full_grid = kpoint%full_grid
424 … full_grid, use_real_wfn, eps_geo, parallel_group_size, kp_range, nkp, xkp, wkp, & argument
431 LOGICAL, OPTIONAL :: symmetry, verbose, full_grid, & local
465 IF (PRESENT(full_grid)) kpoint%full_grid = full_grid
587 CALL section_vals_val_get(kpoint_section, "FULL_GRID", l_val=kpoint%full_grid)
663 IF (kpoint%full_grid) THEN
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| H A D | cryssym.F | 211 SUBROUTINE kpoint_gen(csym, nk, symm, shift, full_grid) argument
216 LOGICAL, INTENT(IN), OPTIONAL :: full_grid local
242 IF (PRESENT(full_grid)) THEN
243 fullmesh = full_grid
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| H A D | qs_gamma2kp.F | 75 kpoint%full_grid = .TRUE.
|
| H A D | qs_band_structure.F | 330 kpoint%full_grid = .FALSE.
352 kpoint%full_grid = .TRUE.
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| H A D | kpoint_methods.F | 171 full_grid=kpoint%full_grid)
1037 IF (.NOT. kpoint%full_grid) THEN
1168 IF (.NOT. kpoint%full_grid) THEN
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| H A D | qs_wannier90.F | 248 kpoint%full_grid = .TRUE.
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| H A D | mp2_integrals.F | 1488 kpoints%full_grid = .FALSE.
1491 kpoints%full_grid = .TRUE.
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| H A D | rpa_gw.F | 2923 kpoints%full_grid = .FALSE.
2944 kpoints%full_grid = .TRUE.
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/qfitlib/tools/python/ |
| H A D | connolly.py | 83 full_grid = grid(48, R, Z, 1.4+i*0.2) variable
84 x,y,z = full_grid.transpose()
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/cp2k/ |
| H A D | inputs.py | 1771 full_grid: bool = False,
1812 self.full_grid = full_grid
1830 "FULL_GRID": Keyword("FULL_GRID", full_grid),
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| /dports/sysutils/slurm-wlm/slurm-20.02.7/src/sview/ |
| H A D | sview.h | 242 int full_grid; member
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| H A D | grid.c | 1476 popup_win->full_grid = 1; in setup_popup_grid_list()
|