Skip to content

4.0.0

Compare
Choose a tag to compare
@github-actions github-actions released this 19 Sep 12:13
· 36 commits to main since this release

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