Releases: usnistgov/jarvis
Releases · usnistgov/jarvis
v2020.10.19
- Multiple machine learning descriptor datasets: OQMD, MP, QM9 added
- VASP to JARVIS API XML updates
- License.txt updated
v2020.10.3
- Fixed SolarEfficiency module bug that pip install lacked AM1.5G.dat file
v2020.9.29
QE, WIEN2K, VASP, LAMMPS examples and workflow updated, consistent with DBDocs (https://jarvis-materials-design.github.io/dbdocs/).
v2020.9.20
Added XML maker for JARVIS-API,
Added Image processing module,
Added CIF reader.
v2020.9.3
v2020.8.12
Added Graph module for GCN related works.
v2020.8.7
v2020.7.25
Interface builder issue of wrapping atoms is fixed now. An example for MoS2-BN is added in the tests folder.
v2020.7.23
Fixed surface and interface builders.
v2020.7.22
Interface code enhancement, adding extra pytests.