Pantea

Latest version: v0.11.0

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0.11

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* refactored Scaler, Potential, and Trainer
* optimized Kalman Filter JIT kernels
* separated scaler and model parameters from potential
* bug fixes

0.10

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* added an optimized implementation (100x faster) of the ACSF gradient calculation

0.9

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* required adjustments on the base codes and example notebooks to work with the recent version of JAX
* added `autodiff` gradient method to the LJ force calculation kernel

0.8

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* Changed package name to `Pantea`

0.7

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* Refactored structure including design, documentation, and performance (JIT kernels)
* Refactored RuNNer dataset

0.6

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* Implemented a Molecular dynamics (MD) simulator
* Monte-Carlo (MC) simulator

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