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deepmodeling / dpgen2

2nd generation of the Deep Potential GENerator
https://docs.deepmodeling.com/projects/dpgen2/
GNU Lesser General Public License v3.0
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dpgen2 can not support CP2K #180

Closed smclucky closed 2 months ago

smclucky commented 10 months ago

I attempted to utilize the CP2K package for implementing DPGEN2, but encountered the following error: 

raise ArgumentValueError(
dargs.dargs.ArgumentValueError: [at location `fp`] get invalid choice `cp2k` for flag key `type`.

It would be greatly beneficial if the developer could provide support for CP2K in DPGEN2, as CP2K is a valuable tool.

zjgemi commented 2 months ago

https://github.com/deepmodeling/dpgen2/pull/238