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Searched refs:ir_grid_points (Results 1 – 25 of 31) sorted by relevance

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/dports/science/py-phono3py/phono3py-1.22.3/c/
H A Dtriplet_kpoint.c251 size_t *ir_grid_points, *third_q; in get_ir_triplets_at_q() local
256 ir_grid_points = NULL; in get_ir_triplets_at_q()
294 ir_grid_points[num_ir_q] = i; in get_ir_triplets_at_q()
319 ir_grid_point = ir_grid_points[i]; in get_ir_triplets_at_q()
343 free(ir_grid_points); in get_ir_triplets_at_q()
344 ir_grid_points = NULL; in get_ir_triplets_at_q()
360 size_t *ir_grid_points; in get_BZ_triplets_at_q() local
362 ir_grid_points = NULL; in get_BZ_triplets_at_q()
372 ir_grid_points[num_ir] = i; in get_BZ_triplets_at_q()
402 free(ir_grid_points); in get_BZ_triplets_at_q()
[all …]
H A Dphono3py.c391 const size_t *ir_grid_points, in ph3py_get_thm_isotope_scattering_strength() argument
405 ir_grid_points, in ph3py_get_thm_isotope_scattering_strength()
629 const size_t *ir_grid_points, in ph3py_expand_collision_matrix() argument
651 ir_gp = ir_grid_points[i]; in ph3py_expand_collision_matrix()
666 ir_gp = ir_grid_points[k]; in ph3py_expand_collision_matrix()
H A Disotope.c132 const size_t *ir_grid_points, in iso_get_thm_isotope_scattering_strength() argument
172 gp = ir_grid_points[i]; in iso_get_thm_isotope_scattering_strength()
212 gp = ir_grid_points[i]; in iso_get_thm_isotope_scattering_strength()
H A Disotope.h55 const size_t *ir_grid_points,
H A Dphono3py.h199 const size_t *ir_grid_points,
292 const size_t *ir_grid_points,
H A D_phono3py.c1088 size_t *ir_grid_points; in py_expand_collision_matrix() local
1100 ir_grid_points = (size_t*)PyArray_DATA(py_ir_grid_points); in py_expand_collision_matrix()
1110 ir_grid_points, in py_expand_collision_matrix()
1192 size_t *ir_grid_points; in py_get_thm_isotope_strength() local
1217 ir_grid_points = (size_t*)PyArray_DATA(py_ir_grid_points); in py_get_thm_isotope_strength()
1229 ir_grid_points, in py_get_thm_isotope_strength()
/dports/science/py-phono3py/phono3py-1.22.3/scripts/
H A Dphono3py-kaccum68 ir_grid_points,
76 ir_grid_points,
97 ir_grid_points,
108 ir_grid_points,
130 (ir_grid_points,
189 ir_grid_points,
199 ir_grid_points)
289 ir_grid_points,
301 self._ir_grid_points = ir_grid_points
444 (ir_grid_points,
[all …]
/dports/science/py-phono3py/phono3py-1.22.3/phono3py/cui/
H A Dtriplets_info.py58 (ir_grid_points,
70 ir_grid_points,
86 num_ir_gp = len(ir_grid_points)
120 ir_grid_points, _, grid_address, _ = get_coarse_ir_grid_points(
131 _grid_points = ir_grid_points
/dports/science/py-phonopy/phonopy-2.11.0/test/phonon/
H A Dtest_tetrahedron_mesh.py40 ir_grid_points = phonon.mesh.ir_grid_points
47 ir_grid_points)
/dports/science/phonopy/phonopy-2.11.0/test/phonon/
H A Dtest_tetrahedron_mesh.py40 ir_grid_points = phonon.mesh.ir_grid_points
47 ir_grid_points)
/dports/science/py-phono3py/phono3py-1.22.3/doc/
H A Dworkload-distribution.rst44 and they are stored in ``ir_grid_points.yaml``.
48 % egrep '^- grid_point:' ir_grid_points.yaml|awk '{printf("%d,",$3)}'
90 with open("ir_grid_points.yaml") as f:
92 gps = [gp['grid_point'] for gp in data['ir_grid_points']]
/dports/science/py-phonopy/phonopy-2.11.0/phonopy/structure/
H A Dgrid_points.py119 ir_grid_points = np.array(np.unique(grid_mapping_table), dtype=dtype)
123 ir_weights = np.array(weights[ir_grid_points], dtype=dtype)
125 return ir_grid_points, ir_weights
261 def ir_grid_points(self): member in GridPoints
270 return self.ir_grid_points
/dports/science/phonopy/phonopy-2.11.0/phonopy/structure/
H A Dgrid_points.py119 ir_grid_points = np.array(np.unique(grid_mapping_table), dtype=dtype)
123 ir_weights = np.array(weights[ir_grid_points], dtype=dtype)
125 return ir_grid_points, ir_weights
261 def ir_grid_points(self): member in GridPoints
270 return self.ir_grid_points
/dports/science/py-phonopy/phonopy-2.11.0/test/structure/
H A Dtest_grid_points.py46 gp.ir_grid_points, [0, 1, 2, 5, 6, 7, 10, 27])
108 gp.ir_grid_points,
150 gp.ir_grid_points, [0, 1, 5, 16, 17, 21])
/dports/science/phonopy/phonopy-2.11.0/test/structure/
H A Dtest_grid_points.py46 gp.ir_grid_points, [0, 1, 2, 5, 6, 7, 10, 27])
108 gp.ir_grid_points,
150 gp.ir_grid_points, [0, 1, 5, 16, 17, 21])
/dports/science/py-phono3py/phono3py-1.22.3/phono3py/phonon3/
H A Dtriplets.py238 (ir_grid_points,
241 return ir_grid_points, ir_grid_weights, grid_address, grid_mapping_table
313 (ir_grid_points,
334 ir_grid_points = from_coarse_to_dense_grid_points(
350 return (ir_grid_points,
H A Dcollision_matrix.py49 ir_grid_points=None, argument
88 self._ir_grid_points = ir_grid_points
/dports/science/py-phonopy/phonopy-2.11.0/c/
H A Dphonopy.c288 long *gp2ir, *ir_grid_points; in phpy_tetrahedron_method_dos() local
293 ir_grid_points = NULL; in phpy_tetrahedron_method_dos()
297 ir_grid_points = (long*)malloc(sizeof(long) * num_ir_gp); in phpy_tetrahedron_method_dos()
304 ir_grid_points[count] = i; in phpy_tetrahedron_method_dos()
323 g_addr[r] = grid_address[ir_grid_points[i]][r] + in phpy_tetrahedron_method_dos()
353 free(ir_grid_points); in phpy_tetrahedron_method_dos()
354 ir_grid_points = NULL; in phpy_tetrahedron_method_dos()
/dports/science/phonopy/phonopy-2.11.0/c/
H A Dphonopy.c288 long *gp2ir, *ir_grid_points; in phpy_tetrahedron_method_dos() local
293 ir_grid_points = NULL; in phpy_tetrahedron_method_dos()
297 ir_grid_points = (long*)malloc(sizeof(long) * num_ir_gp); in phpy_tetrahedron_method_dos()
304 ir_grid_points[count] = i; in phpy_tetrahedron_method_dos()
323 g_addr[r] = grid_address[ir_grid_points[i]][r] + in phpy_tetrahedron_method_dos()
353 free(ir_grid_points); in phpy_tetrahedron_method_dos()
354 ir_grid_points = NULL; in phpy_tetrahedron_method_dos()
/dports/science/py-phonopy/phonopy-2.11.0/phonopy/phonon/
H A Dtetrahedron_mesh.py153 ir_grid_points, argument
204 self._ir_grid_points = ir_grid_points
H A Dmesh.py136 def ir_grid_points(self): member in MeshBase
137 return self._gp.ir_grid_points
140 return self.ir_grid_points
/dports/science/phonopy/phonopy-2.11.0/phonopy/phonon/
H A Dtetrahedron_mesh.py153 ir_grid_points, argument
204 self._ir_grid_points = ir_grid_points
H A Dmesh.py136 def ir_grid_points(self): member in MeshBase
137 return self._gp.ir_grid_points
140 return self.ir_grid_points
/dports/science/py-phonopy/phonopy-2.11.0/phonopy/
H A Dapi_phonopy.py1705 self._mesh.ir_grid_points,
2114 if np.prod(self._mesh.mesh_numbers) != len(self._mesh.ir_grid_points):
2454 ir_grid_points = self._mesh.ir_grid_points
2458 if np.prod(mesh_nums) != len(ir_grid_points):
2572 ir_grid_points = self._mesh.ir_grid_points
2576 if np.prod(mesh_nums) != len(ir_grid_points):
2941 if np.prod(self._mesh.mesh_numbers) != len(self._mesh.ir_grid_points):
/dports/science/phonopy/phonopy-2.11.0/phonopy/
H A Dapi_phonopy.py1705 self._mesh.ir_grid_points,
2114 if np.prod(self._mesh.mesh_numbers) != len(self._mesh.ir_grid_points):
2454 ir_grid_points = self._mesh.ir_grid_points
2458 if np.prod(mesh_nums) != len(ir_grid_points):
2572 ir_grid_points = self._mesh.ir_grid_points
2576 if np.prod(mesh_nums) != len(ir_grid_points):
2941 if np.prod(self._mesh.mesh_numbers) != len(self._mesh.ir_grid_points):

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