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annotate test-data/test_out.txt @ 1:d8146a73b011 draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit 6a07c4caed5ef35f35198d54ebafd7d1d6d60edb
author muon-spectroscopy-computational-project
date Thu, 15 Sep 2022 10:25:23 +0000
parents 39d7644724dc
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39d7644724dc planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
muon-spectroscopy-computational-project
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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
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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
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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
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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
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5 ((\[(-?\d+\.\d+ ?){3}\]\t){2}(none|isotropic)\t\t\tX?\n){48}