nep.restart

This file enables restarting an optimization run. If the file is present, training will start from the state saved in this file. The file is updated during training every output_interval generations.

The default output_interval is 100 generations.

The user does not need to understand the contents of this file.

Remove this file to start a new training run rather than resuming.

Spin3 restarts use this shared format and preserve energy_reference together with the search mean and standard deviation. A matching nep.txt is still needed for the Spin3 metadata and descriptor scalers. Spin models must use model nep_spin and spin_version 1; only the current shared restart format is accepted.