Ngoc-Cuong Nguyen

ML potentials with proper orthogonal descriptors

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**Summary** This pull request implements the fitting and calculation of a new machine-learning interatomic potential (ML-IAP) based on proper orthogonal descriptors (POD). The implementation is located in the folder src/ML-POD,...

New features for the ML-POD package

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**Summary** This pull request implements two news features for the ML-POD package for the fitting and calculation of machine-learning interatomic potentials (MLIPs) based on proper orthogonal descriptors (POD). The implementation...

New features for the ML-POD package

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**Summary** This pull request implements several news features for the ML-POD package for the fitting and calculation of machine-learning interatomic potentials (MLIPs) based on proper orthogonal descriptors (POD). The implementation...