QMflows

What's Changed MAINT: Update master branch after release (0.11.0) by @BvB93 in https://github.com/SCM-NV/qmflows/pull/276 TST: Add CP2K 9.1 tests by @BvB93 in https://github.com/SCM-NV/qmflows/pull/277 ENH: Add a frequency analysis template for CP2K by @BvB93 in https://github.com/SCM-NV/qmflows/pull/278 ENH: Add Result.__dir__ by @BvB93 in https://github.com/SCM-NV/qmflows/pull/279 ENH: Add the generic basis and potential keys for CP2K by @BvB93 in https://github.com/SCM-NV/qmflows/pull/280 TST: Print the CP2K .out and .err files whenever a test job crashes by @BvB93 in https://github.com/SCM-NV/qmflows/pull/281 Full Changelog: https://github.com/SCM-NV/qmflows/compare/0.11.0...0.11.1If you use this software, please cite it as below