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dftd4 / dftd4 Public

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Fork 45
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Issues 19
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v2.5.0

DFT-D4 release 2.5.0

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awvwgk released this 17 Feb 13:07

This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.

GPG key ID: 4AEE18F83AFDEB23

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parameters for DFTB
parameters for revDSD double hybrid functionals
serialization of calculation results to JSON or TOML

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