/dports/science/py-phono3py/phono3py-1.22.3/c/ |
H A D | triplet_kpoint.c | 251 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 D | phono3py.c | 391 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 D | isotope.c | 132 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 D | isotope.h | 55 const size_t *ir_grid_points,
|
H A D | phono3py.h | 199 const size_t *ir_grid_points, 292 const size_t *ir_grid_points,
|
H A D | _phono3py.c | 1088 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 D | phono3py-kaccum | 68 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 D | triplets_info.py | 58 (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 D | test_tetrahedron_mesh.py | 40 ir_grid_points = phonon.mesh.ir_grid_points 47 ir_grid_points)
|
/dports/science/phonopy/phonopy-2.11.0/test/phonon/ |
H A D | test_tetrahedron_mesh.py | 40 ir_grid_points = phonon.mesh.ir_grid_points 47 ir_grid_points)
|
/dports/science/py-phono3py/phono3py-1.22.3/doc/ |
H A D | workload-distribution.rst | 44 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 D | grid_points.py | 119 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 D | grid_points.py | 119 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 D | test_grid_points.py | 46 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 D | test_grid_points.py | 46 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 D | triplets.py | 238 (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 D | collision_matrix.py | 49 ir_grid_points=None, argument 88 self._ir_grid_points = ir_grid_points
|
/dports/science/py-phonopy/phonopy-2.11.0/c/ |
H A D | phonopy.c | 288 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 D | phonopy.c | 288 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 D | tetrahedron_mesh.py | 153 ir_grid_points, argument 204 self._ir_grid_points = ir_grid_points
|
H A D | mesh.py | 136 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 D | tetrahedron_mesh.py | 153 ir_grid_points, argument 204 self._ir_grid_points = ir_grid_points
|
H A D | mesh.py | 136 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 D | api_phonopy.py | 1705 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 D | api_phonopy.py | 1705 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):
|