Unable to link Deepmd v3 to LAMMPS #4118
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FarnesolSXS
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Hi, I'm wondering how I can activate Deepmd module in LAMMPS. Both LAMMPS and Deepmd-kit v3 are shown as python packages and located in my "site-package" folder. Neither can I find "source" folder in Deepmd package, nor "src" folder in LAMMPS, thus I'm not able to do anything like creating USER-DEEPMD. It seems like LAMMPS and Deepmd-kit v3 are installed automatically as libraries instead of softwares. Both Deepmd and LAMMPS are working well separately, and "Deepmd" & "LAMMPS" are in pip list now. Hope to find a method to use deepmd pairstyle in LAMMPS under this situation, tks a lot!
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