Pre-release 1.3.3 - Dot product kernel, per-data relative noise, wandb
Pre-release
Pre-release
What's Changed
- Fixed variables in flare/dft_interface/cp2k_util.py to be consistent by @niklundgren in #316
- Compilers and libraries from conda instead of module load by @YuuuXie in #318
- change calculate_efs and calculate_energy to instance variables by @aaronchen0316 in #319
- Cjo - documentation by @cjowen1 in #317
- add checks for ase calculators with no stress tensor property impleme… by @juliayang in #324
- Single atom energy dict for issue #326 by @YuuuXie in #327
- 1.3.1 Bug fixings - stress, pair_style cutsq, offline preprocess, sanity check by @YuuuXie in #328
- 1.3.2 Non normalized dot product kernel by @YuuuXie in #322
- 1.3.3 Relative noise for each training data point by @YuuuXie in #323
- Development by @YuuuXie in #303
- Add broadcast of kernel string length by @anjohan in #334
- add MPI for lammps in the unit test
New Contributors
- @niklundgren made their first contribution in #316
- @cjowen1 made their first contribution in #317
- @juliayang made their first contribution in #324
Full Changelog: 1.3.0...1.3.3