| /dports/math/py-yt/yt-4.0.1/yt/frontends/adaptahop/ |
| H A D | data_structures.py | 260 def ihalo(self): member in AdaptaHOPHaloContainer
262 ihalo = getattr(self, "_ihalo", None)
263 if ihalo:
264 return ihalo
268 ihalo = np.searchsorted(halo_ids, halo_id)
270 assert halo_ids[ihalo] == halo_id
272 self._ihalo = ihalo
279 ihalo = self.ihalo
285 halo_radius = halo_ds.r["halos", "r"][ihalo].to("Mpc").value
314 ihalo = self.ihalo
[all …]
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| H A D | io.py | 93 for ihalo in range(nhalos):
104 data[ihalo, jj] = v
155 for ihalo in range(nhalos):
166 data[ihalo, :] = fpu.read_vector(it[0][-1])
169 offset_map[ihalo, 0] = halo_id
170 offset_map[ihalo, 1] = ipos
181 def members(self, ihalo): argument
182 offset = self._offsets[ihalo, 1]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_fb_filter_matrix_methods.F | 190 DO ihalo = 1, max_nhalos
191 IF (ihalo > nhalos) THEN
209 halos(ihalo), &
388 DO ihalo = 1, nhalos
389 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
396 DO ihalo = 1, nhalos
401 halos(ihalo), &
1165 DO ihalo = 1, nhalos
1166 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
1186 DO ihalo = 1, nhalos
[all …]
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| H A D | qs_fb_atomic_halo_types.F | 786 INTEGER :: ihalo local
793 DO ihalo = 1, SIZE(atomic_halos%obj%halos)
794 CALL fb_atomic_halo_release(atomic_halos%obj%halos(ihalo))
819 … INTEGER :: ihalo, jatom, mype, nhalo_atoms, nhalos, & local
856 DO ihalo = 1, nhalos
857 CALL fb_atomic_halo_get(halos(ihalo), &
891 INTEGER :: ihalo, max_natoms, min_natoms, & local
913 DO ihalo = 1, nhalos
914 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
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| H A D | qs_fb_env_methods.F | 862 INTEGER :: handle, iatom, ihalo, max_natoms_local, natoms_global, natoms_local, nelectrons, & local
907 DO ihalo = 1, natoms_local
908 CALL fb_atomic_halo_nullify(halos(ihalo))
909 CALL fb_atomic_halo_create(halos(ihalo))
917 ihalo = 0
919 ihalo = ihalo + 1
927 CALL fb_atomic_halo_set(atomic_halo=halos(ihalo), &
937 nelectrons = fb_atomic_halo_nelectrons_estimate_Z(halos(ihalo), &
940 cost = fb_atomic_halo_cost(halos(ihalo), particle_set, qs_kind_set)
941 CALL fb_atomic_halo_set(atomic_halo=halos(ihalo), &
[all …]
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| H A D | qs_fb_atomic_matrix_methods.F | 640 INTEGER :: counter, dest, handle, iatom, iatom_global, ihalo, itask, jatom, jatom_global, & local
679 DO ihalo = 1, nhalos
680 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
691 DO ihalo = 1, nhalos
692 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_fb_filter_matrix_methods.F | 190 DO ihalo = 1, max_nhalos
191 IF (ihalo > nhalos) THEN
209 halos(ihalo), &
388 DO ihalo = 1, nhalos
389 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
396 DO ihalo = 1, nhalos
401 halos(ihalo), &
1165 DO ihalo = 1, nhalos
1166 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
1186 DO ihalo = 1, nhalos
[all …]
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| H A D | qs_fb_atomic_halo_types.F | 786 INTEGER :: ihalo local
793 DO ihalo = 1, SIZE(atomic_halos%obj%halos)
794 CALL fb_atomic_halo_release(atomic_halos%obj%halos(ihalo))
819 … INTEGER :: ihalo, jatom, mype, nhalo_atoms, nhalos, & local
856 DO ihalo = 1, nhalos
857 CALL fb_atomic_halo_get(halos(ihalo), &
891 INTEGER :: ihalo, max_natoms, min_natoms, & local
913 DO ihalo = 1, nhalos
914 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
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| H A D | qs_fb_env_methods.F | 862 INTEGER :: handle, iatom, ihalo, max_natoms_local, natoms_global, natoms_local, nelectrons, & local
907 DO ihalo = 1, natoms_local
908 CALL fb_atomic_halo_nullify(halos(ihalo))
909 CALL fb_atomic_halo_create(halos(ihalo))
917 ihalo = 0
919 ihalo = ihalo + 1
927 CALL fb_atomic_halo_set(atomic_halo=halos(ihalo), &
937 nelectrons = fb_atomic_halo_nelectrons_estimate_Z(halos(ihalo), &
940 cost = fb_atomic_halo_cost(halos(ihalo), particle_set, qs_kind_set)
941 CALL fb_atomic_halo_set(atomic_halo=halos(ihalo), &
[all …]
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| H A D | qs_fb_atomic_matrix_methods.F | 640 INTEGER :: counter, dest, handle, iatom, iatom_global, ihalo, itask, jatom, jatom_global, & local
679 DO ihalo = 1, nhalos
680 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
691 DO ihalo = 1, nhalos
692 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
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