/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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