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Pull requests: CompPhysVienna/n2p2

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Pull requests list

Create up-to-date developer interface for LAMMPS build Issues related to building n2p2 interface Concerns the interface to third-party software
#188 opened Feb 24, 2023 by singraber • Draft
@singraber
[WIP] Implement additional structure and force weights in the loss function
#187 opened Feb 24, 2023 by cschran Loading…
2
Implemented short-distance suppression of symmetry functions
#185 opened Jan 18, 2023 by xyttyxy Loading…
1
4G-HDNNP Training
enhancement New feature or request training Related to NNP training
#107 opened Apr 14, 2021 by singraber • Draft
@singraber
1
Feat/add stress core Touches the libnnp core library enhancement New feature or request training Related to NNP training
#103 opened Apr 3, 2021 by DanielMarchand Loading…
@singraber
3
Committee-NNP core Touches the libnnp core library enhancement New feature or request interface Concerns the interface to third-party software
#92 opened Mar 7, 2021 by singraber • Draft
7
Add Kokkos version with dependent Cabana implementation enhancement New feature or request interface Concerns the interface to third-party software
#88 opened Feb 25, 2021 by streeve • Draft
2
[WIP] Q-HDNNP: Simplified "charge-aware" HDNNP core Touches the libnnp core library enhancement New feature or request
#80 opened Jan 22, 2021 by singraber Loading…
@singraber @mpbircher
2
4G-HDNNP Prediction and LAMMPS interface core Touches the libnnp core library enhancement New feature or request interface Concerns the interface to third-party software
#77 opened Jan 19, 2021 by singraber • Draft
1
@singraber
1
[WIP] Refactoring NeuralNetwork class core Touches the libnnp core library enhancement New feature or request
#64 opened Sep 30, 2020 by singraber Loading…
[WIP] Parallel decoupled Kalman filter training enhancement New feature or request
#61 opened Sep 5, 2020 by singraber Loading…
n2p2 training size enhancement New feature or request tool Adds a new application to the tools collection
#21 opened Oct 14, 2019 by MadlenReiner Loading…
Symfunc paramgen enhancement New feature or request tool Adds a new application to the tools collection
#15 opened Jul 10, 2019 by flobuch Loading…
Farthest point sampling method enhancement New feature or request tool Adds a new application to the tools collection
#13 opened Apr 24, 2019 by AKaiser85 Loading…
3
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