s-dftd3 version 1.3.0

Changelog

• Add support for counter-poise calculations by @awvwgk in #116
• Update validation test by @awvwgk in #126
• Update workflow for building wheels by @awvwgk in #127
• Update references by @awvwgk in #129
• Add LibXC alias xc names in param.f90 by @jamesagreen in #130
• Add FHI-aims to users of s-dftd3 library list by @jamesagreen in #131
• Fix gnu installation in python CI by @thfroitzheim in #134
• Fix Bus Error with LLVMFlang by @foxtran in #133
• Fix doc build by @marvinfriede in #136
• Move coordination number and common data to mctc-lib by @thfroitzheim in #135
• Replace OMP reductions by @marvinfriede in #137
• Small optimization of atm.f90 by @foxtran in #139
• Add CF22D zero damping parameters by @awvwgk in #140
• Support counter-poise calculations in Python API by @awvwgk in #128
• Exclude meson version 1.8.0 by @awvwgk in #142
• Fix typos referencing D4 instead of D3 by @awvwgk in #152
• Update documented alp default in ASE calculator by @awvwgk in #153
• Fix CI: update Meson, macOS runner, and migrate to meson-python by @awvwgk in #161
• Add parameters for PBEsol by @awvwgk in #158
• Potential fix for code scanning alert no. 11: Unused import by @awvwgk in #164
• Guard type generic macro from C++ compilation by @awvwgk in #162
• Support Skala-1.0 functional by @awvwgk in #163
• Add D3(CSO) damping function support by @awvwgk in #165
• Allow modifying cutoff values from ASE calculator by @awvwgk in #154
• Add VASP to comparison documentation by @ftran1 in #169
• Optimization of D3 calculation by @awvwgk in #172
• adapt for QCSchema v2 and Python v3.14 by @loriab in #170
• Update parameters by @awvwgk in #174
• Release version 1.3.0 by @awvwgk in #141

New Contributors

• @jamesagreen made their first contribution in #130
• @thfroitzheim made their first contribution in #134
• @ftran1 made their first contribution in #169

Full Changelog: v1.2.1...v1.3.0