- Adapt the cp2k parsers to the new aiida-cp2k (1.1.0) package (38) - Fix similar-cells check for the SimAnnealing work chain. - Fix block_pocket key check in sim_annealing work chain. - Fix zero-potential issue in the ForceFieldBuilder.
1.0.0b2
Improvements & fixes:
* Expose zeopp inputs in ZeoppMultistageDdecWorkChain (c0ed0c2e6b976b26287560ee69aa8733c28abafd) * Add tests using aiida testing (fc80cde) * Switch tests to GitHub actions (8b172f9) * Fix manifest to add .yaml and .rad files to the distribution (35)