4.0.0
What's Changed
- New mapping configuration by @unkcpz in #198
- Rename measure precision by @unkcpz in #199
- Sync with ACWF input by @unkcpz in #200
- Smart caching for PH/BANDS by @unkcpz in #201
- Improve caching logging and use Diamond as default convergence configuration by @unkcpz in #203
- Record a list of invalid caching node and bring it back by @unkcpz in #206
- Fix/bands num increase by @unkcpz in #211
- Measure metric polish by @unkcpz in #213
- Experiment and confirmation for turn on the magnitization in convergence workflow by @unkcpz in #216
- Rename electron_conv_thro to per_atom and use it to properly set conv_thr by @unkcpz in #217
- Pre commit fix black by @unkcpz in #219
- Correct phonon frequencies helper index by @unkcpz in #220
- Caching control is more sephesticate by @unkcpz in #221
- Using delta per atom for delta convergence by @unkcpz in #222
- Fix issue that exit code of ERROR_METRIC_WORKCHAIN_NOT_FINISHED_OK is not valid by @unkcpz in #223
- Don't show criteria and cutoff_control if it is no convergence by @unkcpz in #224
- Precision measure confs by @unkcpz in #225
- Deal with failed MetricWorkChain for EOS analysis by @unkcpz in #226
Full Changelog: 3.0.3...4.0.0