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v2021.01

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@amirhajibabaei amirhajibabaei released this 21 Jan 11:04

A) new command line utilities: theforce.cl.md, theforce.cl.train, theforce.cl.test
B) better regression algorithm by optimizing sigma (noise_e, noise_f).
C) more stable sampling algorithm by predicting the error for lce energies.
D) automatic pickling of the generated model on-the-fly
E) meta-dynamics is almost ready