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ZENODO
Software . 2024
License: CC BY
Data sources: ZENODO
ZENODO
Software . 2024
License: CC BY
Data sources: Datacite
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molssi-seamm/lammps_step: Improved handling of trajectories and results

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 21 Jul 2024Publisher:Zenodo
Authors: Paul Saxe; Eliseo Marin-Rimoldi; seamm; Doaa Altarawy; pyup.io bot;
Code repository: https://github.com/molssi-seamm/lammps_step/tree/2024.7.21

doi: 10.5281/zenodo.12790746

molssi-seamm/lammps_step: Improved handling of trajectories and results

Abstract

Improved control over the trajectories of positions, veloicties, etc. to allow the user to give the number of points in the trajectory rather than the time interval of samples Added volume of the cell to properties, and the cell lengths, density, and volume for NVE and NVT, where those parameters don't vary but are nonetheless useful in subsequent analysis.

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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