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