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qzhu2017 / CSP_BO

Crystal Structure Prediction with Bayesian Optimization
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add the function to save the trained GP model #8

Closed qzhu2017 closed 3 years ago

qzhu2017 commented 3 years ago

@yanxon

We also need to implement the function to save the trained GP model

qzhu2017 commented 3 years ago

dump the structural information as ase.db

save the following