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Fix typo in training.md #1241

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amcadmus merged 2 commits into from
Oct 28, 2021
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Fix typo in training.md #1241

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159e45d
Merge pull request #1217 from amcadmus/master
amcadmus Oct 15, 2021
bf9349b
Update training.md
JingchaoZhang Oct 25, 2021
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4 changes: 2 additions & 2 deletions doc/train/training.md
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Original file line number Diff line number Diff line change
Expand Up @@ -38,7 +38,7 @@ During the training, the error of the model is tested every `disp_freq` training
400 1.36e+01 1.32e+01 1.07e-02 2.07e-03 4.29e-01 4.19e-01 1.0e-03
500 1.07e+01 1.05e+01 2.45e-03 4.11e-03 3.38e-01 3.31e-01 1.0e-03
```
The file contains 8 columns, form right to left, are the training step, the validation loss, training loss, root mean square (RMS) validation error of energy, RMS training error of energy, RMS validation error of force, RMS training error of force and the learning rate. The RMS error (RMSE) of the energy is normalized by number of atoms in the system. One can visualize this file by a simple Python script:
The file contains 8 columns, form left to right, are the training step, the validation loss, training loss, root mean square (RMS) validation error of energy, RMS training error of energy, RMS validation error of force, RMS training error of force and the learning rate. The RMS error (RMSE) of the energy is normalized by number of atoms in the system. One can visualize this file by a simple Python script:

```py
import numpy as np
Expand All @@ -59,4 +59,4 @@ plt.show()
Checkpoints will be written to files with prefix `save_ckpt` every `save_freq` training steps.

## Warning
It is warned that the example water data (in folder `examples/water/data`) is of very limited amount, is provided only for testing purpose, and should not be used to train a productive model.
It is warned that the example water data (in folder `examples/water/data`) is of very limited amount, is provided only for testing purpose, and should not be used to train a productive model.