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ZENODO
Software . 2023
License: CC BY
Data sources: ZENODO
ZENODO
Software . 2023
License: CC BY
Data sources: Datacite
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molssi-seamm/lammps_step: Bugfix: properties that are constant

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 07 Nov 2023Publisher:Zenodo
Authors: Paul Saxe; seamm; Eliseo Marin-Rimoldi; Doaa Altarawy; pyup.io bot;
Code repository: https://github.com/molssi-seamm/lammps_step/tree/2023.11.7

doi: 10.5281/zenodo.10078864

molssi-seamm/lammps_step: Bugfix: properties that are constant

Abstract

A property, such as the total energy, can be a constant over an MD run due to precision of the trajectory. This caused errors because the autocorrelation function is not defined. These cases are now detected and the ACF not calculated for them.

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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!
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