Forces in the input xsf files

[Suman Bhasker]

Dear aenet users,

I have a very naive question: could someone please let me know how the force information in the input .xsf files are used during training?  Do the models actually train on the input forces as well?

Thank you,

Suman

Postdoctoral scholar 

SLAC/Stanford

[VAIDISH SUMARIA]

The current version of AENET still does not have force training implementation. 

I would suggest to take a look at N2P2, nequip or codes like that which allow training using both energy & forces.

Vaidish

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[Alana Xiang]

I wrote a script to implement it in high school. Don’t hold me responsible if there’s bugs, but feel free to use it.

https://github.com/alat-rights/pyITA

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[Suman Bhasker]

Thank you Vaidish and Alana for your inputs!

Suman