[CP2K-user] How to use cp2k to call lammps package to calculate energy and force
王锋
132916... at gmail.com
Wed May 8 11:57:51 UTC 2019
Dear cp2k users and developers:
Hello.
I am working on machine learning potential fitting recently. cp2k
package cannot using machine learning potential generated by DeePMD
directly. So, I just wonder if it is possible for cp2k to call lammps to
calculate force and energy?
Thanks!
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