v0.5.0
* cp2kparse: parse SIRIUS warnings & errors * cp2kparse: parse DOI for automated citation generation * bandstructure_parse: add API (based on cp2k_bs2csv script) * cp2k_bs2csv: move to cli and use click (adds output dir option)
Assets 2
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2021-07-29T09:46:29Z -
2021-07-29T09:46:29Z -