| /dports/net-im/py-matrix-synapse/synapse-1.50.2/tests/storage/ |
| H A D | test_id_generators.py | 115 self.assertEqual(id_gen.get_positions(), {})
127 self.assertEqual(id_gen.get_positions(), {"master": 7})
142 self.assertEqual(id_gen.get_positions(), {"master": 8})
153 self.assertEqual(id_gen.get_positions(), {"master": 7})
171 self.assertEqual(id_gen.get_positions(), {"master": 7})
176 self.assertEqual(id_gen.get_positions(), {"master": 7})
181 self.assertEqual(id_gen.get_positions(), {"master": 9})
186 self.assertEqual(id_gen.get_positions(), {"master": 9})
191 self.assertEqual(id_gen.get_positions(), {"master": 11})
260 self.assertEqual(id_gen.get_positions(), {"master": 7})
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| /dports/science/py-ase/ase-3.22.0/ase/test/ga/ |
| H A D | test_mutations.py | 16 pos = slab.get_positions()
51 assert np.all(slab.get_positions() == slab2.get_positions())
53 dp = np.sum((top2.get_positions() - top1.get_positions())**2, axis=1)**0.5
74 assert np.all(slab.get_positions() == slab2.get_positions())
75 dp = np.sum((top2.get_positions() - top1.get_positions())**2, axis=1)**0.5
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| H A D | test_create_database.py | 27 assert np.all(slab.get_positions() == slab_get.get_positions())
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| /dports/science/py-ase/ase-3.22.0/ase/optimize/ |
| H A D | basin.py | 70 self.positions = 0.0 * self.atoms.get_positions()
71 self.Emin = self.get_energy(self.atoms.get_positions()) or 1.e32
72 self.rmin = self.atoms.get_positions()
73 self.positions = self.atoms.get_positions()
92 self.rmin = self.atoms.get_positions()
119 rn = atoms.get_positions()
122 return atoms.get_positions()
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| H A D | bfgs.py | 87 r = atoms.get_positions()
154 r0 = atoms.get_positions().ravel()
157 r = atoms.get_positions().ravel()
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| H A D | fire.py | 97 self.r_last = atoms.get_positions().copy()
114 self.r_last = atoms.get_positions().copy()
136 r = atoms.get_positions()
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| /dports/science/py-ase/ase-3.22.0/ase/test/constraints/ |
| H A D | test_setpos.py | 14 pos1 = m.get_positions()
16 pos = m.get_positions()
22 assert array_almost_equal(pos1, m.get_positions())
27 assert array_almost_equal(pos, m.get_positions())
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| H A D | test_main.py | 11 pos = a.get_positions()
25 assert np.sum(np.abs(a.get_positions() - pos)[0]) < 1e-12
26 assert np.sum(np.abs(a.get_positions() - pos*1.01)[1:].flatten()) < 1e-12
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| H A D | test_parameteric_constr.py | 60 pos = a.get_positions().copy() + 0.01
75 assert np.max(np.abs(a.get_positions() - pos)) < 1e-12
139 pos_diff = (pos - a.get_positions()).flatten()
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| /dports/science/py-ase/ase-3.22.0/ase/test/ |
| H A D | test_structure_comparator.py | 61 pos_ref = s2.get_positions()
79 s2.set_positions(matrix.dot(s2.get_positions().T).T)
90 s2.set_positions(matrix.dot(s2.get_positions().T).T)
113 s2.set_positions(-s2.get_positions())
121 s2.set_positions(mat.dot(s2.get_positions().T).T)
125 s2.set_positions(mat.dot(s1.get_positions().T).T)
129 s2.set_positions(mat.dot(s1.get_positions().T).T)
146 s2.set_positions(transformed_op.dot(s1.get_positions().T).T)
163 s2.set_positions(transformed_op.dot(s1.get_positions().T).T)
180 s2.set_positions(transformed_op.dot(s1.get_positions().T).T)
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| /dports/science/py-ase/ase-3.22.0/ase/test/atoms/ |
| H A D | test_permute_axes.py | 24 assert_allclose(original.get_positions(), atoms.get_positions(), atol=TOL)
25 assert_allclose(atoms.get_positions()[:, permutation],
26 permuted.get_positions(), atol=TOL)
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| H A D | test_atoms_get_positions.py | 15 assert np.allclose(positions, atoms.get_positions())
19 assert np.allclose(positions_wrapped, atoms.get_positions(wrap=True))
24 assert np.allclose(positions_wrapped, atoms.get_positions())
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| /dports/science/py-ase/ase-3.22.0/ase/ |
| H A D | autoneb.py | 261 self.all_images[j].get_positions()
332 self.all_images[j].get_positions()
335 total_vec = self.all_images[0].get_positions() - \
336 self.all_images[-1].get_positions()
413 self.all_images[0].get_positions())
415 self.all_images[-1].get_positions())
422 v = (self.all_images[i].get_positions() +
423 self.all_images[i + 1].get_positions()) / 2 - \
424 self.all_images[0].get_positions()
428 v = (self.all_images[i].get_positions() +
[all …]
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| /dports/science/py-ase/ase-3.22.0/ase/ga/ |
| H A D | soft_mutation.py | 23 def get_positions(self): member in TagFilter
24 all_pos = self.atoms.get_positions()
32 cop_pos = self.get_positions()
33 all_pos = self.atoms.get_positions()
67 self.pos0 = atoms.get_positions()
86 pos = atoms.get_positions()
140 pos = self.atoms.get_positions()
265 pos = atoms.get_positions()
301 pos = atoms.get_positions()
350 pos = a.get_positions()
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| /dports/science/py-ase/ase-3.22.0/ase/cluster/ |
| H A D | cluster.py | 38 c = self.get_positions().mean(axis=0)
39 r = np.dot(self.get_positions() - c, n).max()
64 cen = self.get_positions().mean(axis=0)
65 pos = self.get_positions() - cen
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| /dports/science/py-ase/ase-3.22.0/ase/geometry/ |
| H A D | distance.py | 18 s2pos = 1. * s2.get_positions()
51 return np.linalg.norm(s1.get_positions() - s2.get_positions())
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| /dports/science/qbox/qbox-public-rel1_73_3/src/ |
| H A D | IonicStepper.h | 71 get_positions(); in IonicStepper()
80 void get_positions(void) { atoms_.get_positions(r0_); } in get_positions() function
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/generic/ |
| H A D | test_relax.py | 54 positions = molecule.get_positions()
71 positions = molecule.get_positions()
86 positions = molecule.get_positions()
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| /dports/textproc/p5-KinoSearch1/KinoSearch1-1.01/lib/KinoSearch1/Index/ |
| H A D | TermDocs.pm | 117 get_positions = 6
144 case 6: RETVAL = newSVsv(term_docs->get_positions(term_docs));
186 SV* (*get_positions)(struct termdocs*);
224 term_docs->get_positions = Kino1_TermDocs_get_positions_death;
315 positions => $term_docs->get_positions,
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| /dports/science/py-ase/ase-3.22.0/ase/calculators/ |
| H A D | bond_polarizability.py | 139 pos_ac = atoms.get_positions()
144 pos_ac = atoms.get_positions() - atoms.get_positions()[ia]
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| /dports/textproc/p5-KinoSearch1/KinoSearch1-1.01/lib/KinoSearch1/Highlight/ |
| H A D | Highlighter.pm | 224 $posit_vec->set( @{ $tv->get_positions } );
231 map { $_ - $i } @{ $tv->get_positions }
239 my $tv_start_positions = $term_vectors[0]->get_positions;
241 my $tv_end_positions = $term_vectors[-1]->get_positions;
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| /dports/science/py-ase/ase-3.22.0/ase/test/calculator/gaussian/ |
| H A D | test_water.py | 20 positions = water.get_positions()
26 positions2 = water2.get_positions()
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| /dports/science/py-ase/ase-3.22.0/ase/utils/ |
| H A D | structure_comparator.py | 179 atoms.set_positions(total_rot_mat.dot(atoms.get_positions().T).T)
337 pos = atoms.get_positions(wrap=True)
343 pos = struct.get_positions(wrap=True)
388 pos1_ref = self.s1.get_positions(wrap=True)
393 tree = KDTree(exp2.get_positions())
421 positions = ref_atoms.get_positions(wrap=True)
472 pos1 = s1.get_positions()
524 new_sc_pos = sc_atom_search.get_positions()
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/ |
| H A D | ase.py | 73 positions = atoms.get_positions()
92 positions = atoms.get_positions()
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| /dports/science/py-ase/ase-3.22.0/ase/md/ |
| H A D | verlet.py | 61 r = atoms.get_positions()
67 p = (atoms.get_positions() - r) * masses / self.dt
|