| /dports/science/py-ase/ase-3.22.0/ase/test/ |
| H A D | test_structure_comparator.py | 68 s2.set_positions(new_pos)
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)
[all …]
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| H A D | test_diffusion_coefficient.py | 20 traj_he[1].set_positions([(1, 1, 1)])
32 traj_co[1].set_positions([(-1, -1, -1), (-1, -1, 0)])
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/lfc/ |
| H A D | test_second_derivative.py | 15 c.set_positions(spos_ac)
33 c.set_positions(np.dot(pos_av, gd.icell_cv.T))
38 c.set_positions(np.dot(pos_av, gd.icell_cv.T))
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| H A D | test_derivatives.py | 16 c.set_positions(spos_ac)
39 c.set_positions(np.dot(pos_av, gd.icell_cv.T))
44 c.set_positions(np.dot(pos_av, gd.icell_cv.T))
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| H A D | test_lf.py | 14 c.set_positions([(0.5, 0.5, 0.25 + 0.25 * i) for i in [0, 1, 2]])
21 c.set_positions([(0.5, 0.5, 0.25 + 0.25 * i) for i in [0, 1, 2]])
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| /dports/math/maxima/maxima-5.43.2/share/graphs/ |
| H A D | create_graph.mac | 56 set_positions(pos, g),
144 set_positions(
183 set_positions(pos, g),
337 set_positions(
386 set_positions(pos, g),
404 set_positions(
416 set_positions(
431 set_positions(
480 set_positions(
499 set_positions(
[all …]
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/analyse/ |
| H A D | hirshfeld.py | 30 def set_positions(self, spos_ac, atom_partition): member in HirshfeldDensity
38 self.nct.set_positions(spos_ac)
39 self.ghat.set_positions(spos_ac)
85 self.set_positions(spos_ac, AtomPartition(self.gd.comm, rank_a))
90 basis_functions.set_positions(spos_ac)
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| /dports/science/py-ase/ase-3.22.0/ase/optimize/ |
| H A D | basin.py | 115 atoms.set_positions(rn)
121 atoms.set_positions(rn)
127 atoms.set_positions(self.rmin)
134 self.atoms.set_positions(positions)
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| H A D | sciopt.py | 72 self.atoms.set_positions(x.reshape(-1, 3))
79 self.atoms.set_positions(x.reshape(-1, 3))
236 self.atoms.set_positions(x.reshape(-1, 3))
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/tddft/ |
| H A D | ehrenfest.py | 106 self.calc.set_positions(self.calc.atoms)
120 self.calc.set_positions(self.calc.atoms)
136 self.calc.set_positions(self.calc.atoms)
150 self.calc.set_positions(self.calc.atoms)
167 self.calc.atoms.set_positions(self.x * Bohr)
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| /dports/science/plumed/plumed2-2.7.2/patches/qespresso-5.0.2.diff/PW/src/ |
| H A D | pwscf.f90 | 27 set_positions, return_forces
92 CALL set_positions()
169 CALL set_positions()
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/ |
| H A D | pair_density.py | 23 density.Ghat.set_positions(spos_ac)
170 self.density.Ghat.set_positions(self.spos_ac)
214 self.__class__.phi.set_positions(self.spos_ac)
215 self.__class__.phit.set_positions(self.spos_ac)
220 self.__class__.Phi.set_positions(self.spos_ac)
221 self.__class__.Phit.set_positions(self.spos_ac)
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| /dports/science/py-ase/ase-3.22.0/ase/ga/ |
| H A D | soft_mutation.py | 31 def set_positions(self, positions, **kwargs): member in TagFilter
39 self.atoms.set_positions(all_pos, **kwargs)
275 atoms.set_positions(pos_disp)
284 atoms.set_positions(pos)
385 a.set_positions(positions)
393 mutant.set_positions(pos_new)
401 mutant.set_positions(pos_new)
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| /dports/sysutils/ansible/ansible-4.7.0/ansible_collections/awx/awx/plugins/lookup/ |
| H A D | schedule_rrule.py | 124 set_positions = { variable in LookupModule
223 if occurance not in LookupModule.set_positions:
227 rrule_kwargs['bysetpos'] = LookupModule.set_positions[occurance]
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| /dports/science/py-ase/ase-3.22.0/ase/test/constraints/ |
| H A D | test_parameteric_constr.py | 108 a.set_positions(pos + 0.3)
135 a.set_positions(pos)
146 a.set_positions(pos + 0.3)
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/ext_potential/ |
| H A D | test_point_charge.py | 99 pc.set_positions([pos])
102 pc.set_positions([pos])
105 pc.set_positions([pos])
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| /dports/science/py-ase/ase-3.22.0/ase/test/calculator/kim/ |
| H A D | test_update_coords.py | 11 atoms.set_positions(pos)
20 atoms.set_positions([pos1, pos2])
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/wavefunctions/ |
| H A D | fdpw.py | 52 phit.set_positions(wfs.spos_ac, wfs.atom_partition)
72 phit.set_positions(spos_ac, wfs.atom_partition)
184 bfs.set_positions(spos_ac)
257 def set_positions(self, spos_ac, atom_partition=None): member in FDPWWaveFunctions
269 WaveFunctions.set_positions(self, spos_ac, atom_partition)
275 self.pt.set_positions(spos_ac, atom_partition)
291 basis_functions.set_positions(spos_ac)
345 lcaowfs.set_positions(spos_ac, self.atom_partition)
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| /dports/games/freedoko/FreeDoko_0.7.19/src/card/ |
| H A D | sorted_hand_const.cpp | 338 this->set_positions(); in sort()
355 this->set_positions(); in unsort()
363 SortedHandConst::set_positions() in set_positions() function in SortedHandConst
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| /dports/games/supertux2/SuperTux-v0.6.3-Source/src/video/gl/ |
| H A D | gl_painter.cpp | 172 context.set_positions(m_vertices.data(), sizeof(float) * m_vertices.size()); in draw_texture()
204 context.set_positions(vertices, sizeof(vertices)); in draw_gradient()
288 context.set_positions(vertices.data(), sizeof(float) * vertices.size()); in draw_filled_rect()
306 context.set_positions(vertices, sizeof(vertices)); in draw_filled_rect()
387 context.set_positions(vertices, sizeof(vertices)); in draw_inverse_ellipse()
430 context.set_positions(vertices, sizeof(vertices)); in draw_line()
455 context.set_positions(vertices, sizeof(vertices)); in draw_triangle()
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/pw/ |
| H A D | test_reallfc.py | 44 lfc.set_positions(spos_ac)
46 lfcr.set_positions(spos_ac)
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| /dports/science/py-phonopy/phonopy-2.11.0/phonopy/interface/ |
| H A D | siesta.py | 84 cell.set_positions(np.array(positions) * alat)
86 cell.set_positions(np.array(positions) / Bohr)
88 cell.set_positions(np.array(positions))
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| /dports/science/phonopy/phonopy-2.11.0/phonopy/interface/ |
| H A D | siesta.py | 84 cell.set_positions(np.array(positions) * alat)
86 cell.set_positions(np.array(positions) / Bohr)
88 cell.set_positions(np.array(positions))
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| /dports/multimedia/librespot/librespot-0.1.3/cargo-crates/rodio-0.9.0/src/source/ |
| H A D | spatial.rs | 34 ret.set_positions(emitter_position, left_ear, right_ear);
39 pub fn set_positions( in set_positions() function
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| /dports/science/qbox/qbox-public-rel1_73_3/src/ |
| H A D | IonicStepper.h | 82 void set_positions(void) { atoms_.set_positions(r0_); } in set_positions() function
|