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MDIL-SNU
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SIMPLE-NN
SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
GNU General Public License v3.0
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memory fix & scaling
#87
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JisuJung928
closed
4 years ago
JisuJung928
commented
4 years ago
Fix the memory leak in calculating symmetry function (stress)
Add additional term to consider "self-interaction" in uniform gas scaling