Home
last modified time | relevance | path

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 Dcell.c260 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 …]
H A Dspacegroup.c463 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()
/dports/science/py-spglib/spglib-1.16.2/src/
H A Dcell.c258 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 …]
H A Dspacegroup.c714 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()
/dports/science/gabedit/GabeditSrc251_300720/spglib/
H A Dcell.c260 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 …]
H A Dspacegroup.c508 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()
/dports/science/spglib/spglib-1.16.2/src/
H A Dcell.c258 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 …]
H A Dspacegroup.c714 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()
/dports/science/py-phonopy/phonopy-2.11.0/phonopy/structure/
H A Dcells.py585 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,
/dports/science/phonopy/phonopy-2.11.0/phonopy/structure/
H A Dcells.py585 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,