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Issues: dftd3/simple-dftd3

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

PySCF interface retrieves incorrect atomic numbers if ECPs are used bug Something isn't working python related to the Python API
#72 opened Jul 9, 2024 by awvwgk
Implement Ewald summation for two body dispersion energy enhancement New feature or request
#69 opened Jun 17, 2024 by awvwgk
[Bug / Defaults] ASE DFTD3 and Simple-DFTD3 disagree?
#68 opened Jun 13, 2024 by tgmaxson
1
Add documentation for using command line interface documentation Improvements or additions to documentation
#67 opened Jun 10, 2024 by awvwgk
4 tasks
v1.1.0
Add installation instructions for Nix documentation Improvements or additions to documentation
#64 opened Jun 9, 2024 by awvwgk
Building wheels with Python 3.12 fails bug Something isn't working
#62 opened Jun 9, 2024 by awvwgk
2
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
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