rcut while running the molecular dynamics simulations using trained potential #1902
rajnichahal
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No, the potential is designed to be continuous at the rcut point. |
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Thanks! |
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Hi,
I was wondering if one could take a different rcut value when running the molecular dynamics simulations using trained DeePMD potential.
For example, say rcut=8 Angstrom when training the potential, is it possible to select an rcut=6 Angstrom when using the potential in LAMMPS?
Thanks!
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