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set restartinfo to 0.
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Restarting the pair_style `deepmd` from restart file is not supported
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Han Wang committed Mar 2, 2021
1 parent 6cbeb20 commit 5597ea2
Showing 1 changed file with 1 addition and 0 deletions.
1 change: 1 addition & 0 deletions source/lmp/pair_nnp.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -206,6 +206,7 @@ PairNNP::PairNNP(LAMMPS *lmp)
if (strcmp(update->unit_style,"metal") != 0) {
error->all(FLERR,"Pair deepmd requires metal unit, please set it by \"units metal\"");
}
restartinfo = 0;
pppmflag = 1;
respa_enable = 0;
writedata = 0;
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