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Add tutorial on how to use 3c methods
documentation
Improvements or additions to documentation
#125
opened Nov 30, 2024 by
awvwgk
Run validation test suite as part of CI
bug
Something isn't working
#123
opened Nov 30, 2024 by
awvwgk
Enable Python API for counter-poise corrections
enhancement
New feature or request
python
related to the Python API
Support for D2 dispersion model
enhancement
New feature or request
#121
opened Nov 25, 2024 by
awvwgk
Update MacOS runner version for wheel pipeline
python
related to the Python API
#119
opened Nov 15, 2024 by
awvwgk
Deprecate setuptools support in favor of meson-python
python
related to the Python API
#83
opened Sep 19, 2024 by
awvwgk
Disable contribution from specific atoms
enhancement
New feature or request
#75
opened Jul 30, 2024 by
tgmaxson
Implement Ewald summation for two body dispersion energy
enhancement
New feature or request
#69
opened Jun 17, 2024 by
awvwgk
Add installation instructions for Nix
documentation
Improvements or additions to documentation
#64
opened Jun 9, 2024 by
awvwgk
Support for D3(CSO) damping function
enhancement
New feature or request
parameters
Damping parameters for functionals
#5
opened Nov 18, 2021 by
awvwgk
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