train_atomic_E

• False (default) / True

---

If the train_atomic_E tag is set as True, based on the train_list and valid_list which were produced from add_NNP_ref step, SIMPLE-NN trains one set of replica ensemble. By varying weight parameters and network size, users can apply replica ensemble to Neural Network Potentials. The continue tag must be set as shown below.

#input.yaml
neural_network:
    continue: null