There is a newer version of the record available.

Published March 5, 2021 | Version 2.10.13
Software Open

srmnitc/pyscal: 2.10.13

Creators

  • 1. ICAMS, Ruhr-Universität Bochum
  • 2. UIUC
  • 3. @eisenforschung

Description

Changes

  • If species is not specified, output in poscar format will use pyscal function instead of ase backend

Files

srmnitc/pyscal-2.10.13.zip

Files (2.9 MB)

Name Size Download all
md5:494a437790c3653f4ccb5b5f71a4341f
2.9 MB Preview Download

Additional details

Related works

Is supplement to
https://github.com/srmnitc/pyscal/tree/2.10.13 (URL)