Published November 5, 2023
| Version 2023.11.5
Software
Open
molssi-seamm/molsystem: Bugfix and improved symmetry handling
Authors/Creators
- 1. The Molecular Sciences Software Institute (@MolSSI)
- 2. University of Notre Dame
Description
- Fixed bug with symmetry operators containing blanks, e.g. 'x, y, z' rather than 'x,y,z'
- Added handling of symmetry when get properties of atoms
- Added method to lower symmetry to P1/C1
Files
molssi-seamm/molsystem-2023.11.5.zip
Files
(662.3 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:5821616ef1eb24736477250c201957cc
|
662.3 kB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/molssi-seamm/molsystem/tree/2023.11.5 (URL)