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Hi, I would like to carry out a simple PIMD simulation using dp_ipi. What forcefield should I indicate in the input.xml file? I tried with 'dp_ipi' but this error occurred: "Force component name 'dp_ipi' is not in the forcefields list". Any suggestions? |
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Answered by
njzjz
Jun 3, 2021
Replies: 1 comment
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deepmd-kit/examples/water/ipi/input.xml Lines 22 to 24 in ab7621e |
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Answer selected by
AxelTG
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deepmd-kit/examples/water/ipi/input.xml
Lines 22 to 24 in ab7621e