- new mechanism to store the gradient information - improve the calculator - enabled the MD support
0.0.9
Linked the code to Zenodo
0.0.8
- added SOAP descriptors - added EAM descriptors - enabled multiple processes in database modules for descriptor computation - added elastic properties calculation for tetragonal systems - stress training is in GPa unit now
0.0.6
Added the database support
0.0.5
- added Travis support for regression test
0.0.4
- added the stress tensor on both training and prediction - added the calculator in ase style on the trained model - enabled the calculation of physical properties (optimization, elastic properties and phonon dispersions)