Skip to content

Releases: usnistgov/jarvis

v2024.10.30

20 Nov 04:57
ac16eb5
Compare
Choose a tag to compare
  • Graph builder update
  • Alexandria DB added

vv2024.10.10

18 Oct 01:39
3e01c35
Compare
Choose a tag to compare
  • Add Alexandria DB
  • Add tools for recasting array
  • Update solar and spacegroup scrips

v2024.8.30

07 Sep 20:22
7f2f2bf
Compare
Choose a tag to compare
  • Database list update

v2024.5.10

28 Jun 03:36
880b4ac
Compare
Choose a tag to compare
  • Add rotate atoms/sites
  • Added new DBs

v2024.4.30

04 May 22:12
52eb756
Compare
Choose a tag to compare
  • VASP OUTCAR parser for making ALIGNN-FF outputs

v2024.4.20

04 May 16:09
9cdcab2
Compare
Choose a tag to compare
  • Update surface builder
  • Outcar parser update
  • Get ALIGNN features and mineral name
  • Update describer

v2024.4.10

14 Apr 14:42
4ec2bf5
Compare
Choose a tag to compare
  • Added atoms describer

v2024.3.30

31 Mar 16:57
24b7266
Compare
Choose a tag to compare
  • Add OPTIMADE restapi call
  • Fix QE PSP URL
  • LAMMPS input file maker fix

v2024.3.24

28 Mar 22:02
90d7d7e
Compare
Choose a tag to compare
  • Added atoms.clone and remove_sites_by_indices methods

v2023.08.01

11 Aug 17:26
8d6ee8c
Compare
Choose a tag to compare
  • Added new datasets AGRA, TinNet, OCP etc.
  • ReadTheDocs not allowed at NIST anymore, so redirected pages to https://pages.nist.gov/jarvis/
  • Added QE DOS, and GP modules
  • Fixed dev-requirements.txt