4.2.3

Full Changelog: 4.2.2...4.2.3

4.2.2

What's Changed

• Fix/209/dump convergence with healthy check by @unkcpz in #228
• Add handler for out of memory error by @unkcpz in #229
• Add plugin specific docker image by @unkcpz in #230
• Using mkdocs for doc by @unkcpz in #232
• Use stable version of docker image 2.4.1 by @unkcpz in #233
• Add CLI for analyze element result in a bar figure by @unkcpz in #235
• Fea/xx/analyze on element very by @unkcpz in #236
• Update opsp protocol by @unkcpz in #237

Full Changelog: 4.2.1...4.2.2

4.2.1

Full Changelog: 4.2.0...4.2.1

4.2.0

What's Changed

• Allow to pass configurations to measure workflow by @unkcpz in #227

Full Changelog: 4.1.0...4.2.0

4.1.0

Full Changelog: 4.0.2...4.1.0

4.0.2

Full Changelog: 4.0.1...4.0.2

4.0.1

Full Changelog: 4.0.0...4.0.1

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

3.0.3

What's Changed

• Renew strcuture dataset by @unkcpz in #192
• calculation set for base workchain by @unkcpz in #193
• use nowf for delta calculations by @unkcpz in #188
• convergence structure with Oxygen set pseudo of O properly by @unkcpz in #194
• The configuration in convergence workflow can be set dynamically in CLI by @unkcpz in #195
• Support testing convergence on diffirent configuration by @unkcpz in #196

Full Changelog: 3.0.2...3.0.3

3.0.2

What's Changed

• Fix the pseudo_type comparing issue by @unkcpz in #190

Full Changelog: 3.0.1...3.0.2