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Releases: usnistgov/jarvis

v2020.10.19

20 Oct 14:41
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  • Multiple machine learning descriptor datasets: OQMD, MP, QM9 added
  • VASP to JARVIS API XML updates
  • License.txt updated

v2020.10.3

04 Oct 14:39
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  • Fixed SolarEfficiency module bug that pip install lacked AM1.5G.dat file

v2020.9.29

29 Sep 08:53
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QE, WIEN2K, VASP, LAMMPS examples and workflow updated, consistent with DBDocs (https://jarvis-materials-design.github.io/dbdocs/).

v2020.9.20

21 Sep 07:27
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Added XML maker for JARVIS-API,
Added Image processing module,
Added CIF reader.

v2020.9.3

03 Sep 06:11
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  • Added XML DB creation and restapi modules that can help push data to JARVIS-API
  • Added .cif reader
  • Added spectrum, elastic tensor, Lammps parser, & XRD modules

v2020.8.12

12 Aug 15:16
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Added Graph module for GCN related works.

v2020.8.7

08 Aug 07:54
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Fixed MagneticOrdering, Slurm script, Interface squeezing atoms issue, and added DFT+U module.

v2020.7.25

26 Jul 04:56
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Interface builder issue of wrapping atoms is fixed now. An example for MoS2-BN is added in the tests folder.

v2020.7.23

24 Jul 18:33
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Fixed surface and interface builders.

v2020.7.22

24 Jul 01:14
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Interface code enhancement, adding extra pytests.