v1.4.0

What's Changed

• Adding band structure parser for cp2k version 8.1. by @hdsassnick in #126
• K-points: set FULL_GRID to false by @yakutovicha in #128
• pre-commit: normalize config to top-level-map by @dev-zero in #132
• parser: add the cp2k-output-tools parser by @dev-zero in #133
• Make gdt and cp2k-output-tools a hard-dependency by @dev-zero in #135
• Parse pbc from/to structure-node by @hdsassnick in #130
• speedup ci setup by @ltalirz in #138
• gdt-support: fix adding KIND sections for different sites by @dev-zero in #136
• bump pytest version to 6 by @ltalirz in #140
• datatype_helpers: fix POTENTIAL keyword by @dev-zero in #145
• utils/parser/bands: avoid duplicated KPs by @dev-zero in #148
• bands: tested with cp2k 7.1 and 8.2, fixed possible issue with 8.1 by @dev-zero in #147
• restart geometry fix by @VasylStotskyi in #149
• Release/1.4.0 by @yakutovicha in #150

New Contributors

• @hdsassnick made their first contribution in #126
• @VasylStotskyi made their first contribution in #149

Full Changelog: v1.3.0...v1.4.0