Mercurial > repos > muon-spectroscopy-computational-project > pm_symmetry
annotate test-data/test_out.txt @ 4:34c550d15bd4 draft default tip
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit 389608650050596b28bc0c055de9f98c513a6f65
author | muon-spectroscopy-computational-project |
---|---|
date | Fri, 26 Jul 2024 12:57:53 +0000 |
parents | 39d7644724dc |
children |
rev | line source |
---|---|
0
39d7644724dc
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
muon-spectroscopy-computational-project
parents:
diff
changeset
|
1 Wyckoff points symmetry report for Si\.(cell|cif|xyz|extxyz) |
39d7644724dc
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
muon-spectroscopy-computational-project
parents:
diff
changeset
|
2 Space Group International Symbol: Fd-3m |
39d7644724dc
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
muon-spectroscopy-computational-project
parents:
diff
changeset
|
3 Space Group Hall Number: 525 |
39d7644724dc
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
muon-spectroscopy-computational-project
parents:
diff
changeset
|
4 Absolute\t\tFractional\t\tHessian constraints\tOccupied |
39d7644724dc
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
muon-spectroscopy-computational-project
parents:
diff
changeset
|
5 ((\[(-?\d+\.\d+ ?){3}\]\t){2}(none|isotropic)\t\t\tX?\n){48} |