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Issues: dftd3/simple-dftd3

Looking for (co-)maintainers
#23 opened Jul 6, 2022 by awvwgk
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12 Open 54 Closed
12 Open 54 Closed
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Issues list

Add tutorial on how to use 3c methods documentation Improvements or additions to documentation
#125 opened Nov 30, 2024 by awvwgk
Reenable codecov uploads on main bug Something isn't working
#124 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
#122 opened Nov 30, 2024 by awvwgk
4 tasks
v1.3.0
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
3
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
Looking for (co-)maintainers help wanted Extra attention is needed
#23 opened Jul 6, 2022 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
ProTip! Follow long discussions with comments:>50.