deepmodeling / deepmodeling/deepmd-kit

Can the training set only contain the total virial

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enhancement
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Python
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Description

### Summary

Is it possible to train only the total virial instead of components of the virial tensor?

### Detailed Description

When I use vasp to perform molecular dynamics simulation, I use OUTCAR as the training set for DP. Because I set ISIF=1 in INCAR, according to the vasp wiki, only the total pressure (total virial) is correct in OUTCAR. So I only want to use the total virial as the fitting target.

### Further Information, Files, and Links

https://www.vasp.at/wiki/index.php/ISIF

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