Release v2.1.0 · aiidateam/aiida-cp2k

What's Changed

Fix pre-commit config by @yakutovicha in #185
Update output parser, and improve tests by @yakutovicha in #184
Remove the pylint warning disablings by @yakutovicha in #193
Update pre-commit config quarterly by @yakutovicha in #200
Example base workflow for geometry optimization: reduce runtime by @yakutovicha in #203
Let SCF iteration converge for this test, because an SCF convergence … by @mkrack in #202
Fix: retrieve the last structure even if the calculation has failed. by @yakutovicha in #205
Implement trajectory parser, provide example of MD simulations. by @yakutovicha in #206
Implement support for the REFTRAJ simpulation by @cpignedoli in #207
Working on Dockerfile and testing by @yakutovicha in #210
Implement output trajectory merge in Cp2kBaseWorkChain by @yakutovicha in #209
Bug fix due to aiida-core version by @cpignedoli in #211
Fix a bug in the creation of trajectory by @cpignedoli in #212
Allow specifying different AiiDA base images by @yakutovicha in #213
Install cp2k from conda by @yakutovicha in #170
Make restart tests work by @yakutovicha in #222
fixing parser for v2024.3 by @cpignedoli in #223
Handling of SCF not converged if wall time not exceeded by @cpignedoli in #224
Add UpfData input namespace by @yakutovicha in #194

Full Changelog: v2.0.0...v2.1.0