Mercurial > repos > muon-spectroscopy-computational-project > pm_symmetry

view test-data/test_out.txt @ 0:39d7644724dc draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
author muon-spectroscopy-computational-project
date Thu, 25 Aug 2022 16:19:38 +0000
parents
children
line wrap: on
line source

Wyckoff points symmetry report for Si\.(cell|cif|xyz|extxyz)
Space Group International Symbol: Fd-3m
Space Group Hall Number: 525
Absolute\t\tFractional\t\tHessian constraints\tOccupied
((\[(-?\d+\.\d+ ?){3}\]\t){2}(none|isotropic)\t\t\tX?\n){48}