Searched refs:trimmed_cell (Results 1 – 10 of 10) sorted by relevance
/dports/science/octopus/octopus-10.5/external_libs/spglib-1.9.9/src/ |
H A D | cell.c | 260 Cell *trimmed_cell; in trim_cell() local 268 trimmed_cell = NULL; in trim_cell() 289 cel_free_cell(trimmed_cell); in trim_cell() 290 trimmed_cell = NULL; in trim_cell() 305 cel_free_cell(trimmed_cell); in trim_cell() 306 trimmed_cell = NULL; in trim_cell() 321 set_positions(trimmed_cell, in trim_cell() 330 return trimmed_cell; in trim_cell() 345 trimmed_cell->position[i][j] = 0; in set_positions() 373 trimmed_cell->position[i][j] = mat_Dmod1(trimmed_cell->position[i][j]); in set_positions() [all …]
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H A D | spacegroup.c | 463 Cell *std_cell, *trimmed_cell; in spa_transform_from_primitive() local 466 trimmed_cell = NULL; in spa_transform_from_primitive() 532 trimmed_cell = cel_trim_cell(mapping_table, in spa_transform_from_primitive() 542 return trimmed_cell; in spa_transform_from_primitive()
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/dports/science/py-spglib/spglib-1.16.2/src/ |
H A D | cell.c | 258 Cell *trimmed_cell; in trim_cell() local 268 trimmed_cell = NULL; in trim_cell() 299 cel_free_cell(trimmed_cell); in trim_cell() 300 trimmed_cell = NULL; in trim_cell() 315 cel_free_cell(trimmed_cell); in trim_cell() 316 trimmed_cell = NULL; in trim_cell() 331 set_positions(trimmed_cell, in trim_cell() 340 return trimmed_cell; in trim_cell() 355 trimmed_cell->position[i][j] = 0; in set_positions() 383 trimmed_cell->position[i][j] = mat_Dmod1(trimmed_cell->position[i][j]); in set_positions() [all …]
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H A D | spacegroup.c | 714 Cell *std_cell, *trimmed_cell; in spa_transform_from_primitive() local 717 trimmed_cell = NULL; in spa_transform_from_primitive() 784 trimmed_cell = cel_trim_cell(mapping_table, in spa_transform_from_primitive() 794 return trimmed_cell; in spa_transform_from_primitive()
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/dports/science/gabedit/GabeditSrc251_300720/spglib/ |
H A D | cell.c | 260 Cell *trimmed_cell; in trim_cell() local 270 trimmed_cell = NULL; in trim_cell() 301 cel_free_cell(trimmed_cell); in trim_cell() 302 trimmed_cell = NULL; in trim_cell() 317 cel_free_cell(trimmed_cell); in trim_cell() 318 trimmed_cell = NULL; in trim_cell() 333 set_positions(trimmed_cell, in trim_cell() 342 return trimmed_cell; in trim_cell() 357 trimmed_cell->position[i][j] = 0; in set_positions() 385 trimmed_cell->position[i][j] = mat_Dmod1(trimmed_cell->position[i][j]); in set_positions() [all …]
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H A D | spacegroup.c | 508 Cell *std_cell, *trimmed_cell; in spa_transform_from_primitive() local 511 trimmed_cell = NULL; in spa_transform_from_primitive() 578 trimmed_cell = cel_trim_cell(mapping_table, in spa_transform_from_primitive() 588 return trimmed_cell; in spa_transform_from_primitive()
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/dports/science/spglib/spglib-1.16.2/src/ |
H A D | cell.c | 258 Cell *trimmed_cell; in trim_cell() local 268 trimmed_cell = NULL; in trim_cell() 299 cel_free_cell(trimmed_cell); in trim_cell() 300 trimmed_cell = NULL; in trim_cell() 315 cel_free_cell(trimmed_cell); in trim_cell() 316 trimmed_cell = NULL; in trim_cell() 331 set_positions(trimmed_cell, in trim_cell() 340 return trimmed_cell; in trim_cell() 355 trimmed_cell->position[i][j] = 0; in set_positions() 383 trimmed_cell->position[i][j] = mat_Dmod1(trimmed_cell->position[i][j]); in set_positions() [all …]
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H A D | spacegroup.c | 714 Cell *std_cell, *trimmed_cell; in spa_transform_from_primitive() local 717 trimmed_cell = NULL; in spa_transform_from_primitive() 784 trimmed_cell = cel_trim_cell(mapping_table, in spa_transform_from_primitive() 794 return trimmed_cell; in spa_transform_from_primitive()
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/dports/science/py-phonopy/phonopy-2.11.0/phonopy/structure/ |
H A D | cells.py | 585 trimmed_cell, p2s_map, _ = _trim_cell( 591 numbers=trimmed_cell.numbers, 592 masses=trimmed_cell.masses, 593 magmoms=trimmed_cell.magnetic_moments, 594 scaled_positions=trimmed_cell.scaled_positions, 595 cell=trimmed_cell.cell,
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/dports/science/phonopy/phonopy-2.11.0/phonopy/structure/ |
H A D | cells.py | 585 trimmed_cell, p2s_map, _ = _trim_cell( 591 numbers=trimmed_cell.numbers, 592 masses=trimmed_cell.masses, 593 magmoms=trimmed_cell.magnetic_moments, 594 scaled_positions=trimmed_cell.scaled_positions, 595 cell=trimmed_cell.cell,
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