lsmo-epfl/aiida-lsmo: aiida-lsmo v1.0.0
Daniele Ongari, Aliaksandr V. Yakutovich, Leopold Talirz · Zenodo (CERN European Organization for Nuclear Research) · 2020
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.