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Merge pull request #107 from CompPhysVienna/4G-HDNNP-training
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4G-HDNNP Training
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singraber authored Nov 24, 2024
2 parents e51667a + f4f9670 commit 61daa0d
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2 changes: 2 additions & 0 deletions .gitignore
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*.o
compile_commands.json
.clangd
.idea/
src/interface/stable_29Sep2021.tar.gz
1 change: 1 addition & 0 deletions AUTHORS.rst
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Expand Up @@ -11,3 +11,4 @@ Contributions are much appreciated and will be recorded here:
* CabanaMD interface (`libnnpif/CabanaMD`): Saaketh Desai and Sam Reeve
* Polynomial symmetry functions (`libnnp/Sym(Fnc/Grp)(Base)Comp...`): Martin P.
Bircher and Andreas Singraber
* 4G-HDNNP training/prediction implementation in n2p2: Philipp Misof
8 changes: 8 additions & 0 deletions CHANGELOG.rst
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Expand Up @@ -3,6 +3,14 @@ Changelog

All notable changes to this project will be documented in this file.

Version 3.0.0 - 2024-1?-??
--------------------------

New features
^^^^^^^^^^^^

* 4G-HDNNPs training/prediction in n2p2.

Version 2.3.0 - 2024-11-23
--------------------------

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