There is a newer version of the record available.

Published August 1, 2019 | Version v0.9.2b5
Software Open

chrisjsewell/aiida-crystal17: Add Basis Set parser and ``compute_orbitals`` function

Creators

  • 1. Imperial College London

Description

Also add license to all python files and pre-commit format.

Files

chrisjsewell/aiida-crystal17-v0.9.2b5.zip

Files (1.8 MB)

Name Size Download all
md5:88eeb79df2cb27e1ddf91743fc34dbda
1.8 MB Preview Download

Additional details

Related works

Is supplement to
https://github.com/chrisjsewell/aiida-crystal17/tree/v0.9.2b5 (URL)