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Published April 1, 2015 | Version 1.0
Software Open

pbc_fix: first release.

Authors/Creators

  • 1. University of Oxford

Description

http://jhelie.github.io/pbc_fix/

Python utility to fix crossing of periodic boundaries conditions in Molecular Dynamics trajectories containing systems expanding outside the unit cell.

Suggestions welcome.

Files

pbc_fix-1.0.zip

Files (12.6 kB)

Name Size
md5:6378d57a031b5e95c7c375ad35f45795
12.6 kB Preview Download

Additional details

Related works

Is supplement to
https://github.com/jhelie/pbc_fix/tree/1.0 (URL)