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ZENODO
Software . 2023
License: CC BY
Data sources: ZENODO
ZENODO
Software . 2023
License: CC BY
Data sources: Datacite
Claim

molssi-seamm/molsystem: Bugfix and improved symmetry handling

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 05 Nov 2023Publisher:Zenodo
Authors: Paul Saxe; seamm; Sina Mostafanejad; Eliseo Marin-Rimoldi;
Code repository: https://github.com/molssi-seamm/molsystem/tree/2023.11.5

doi: 10.5281/zenodo.10073585

molssi-seamm/molsystem: Bugfix and improved symmetry handling

Abstract

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

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average