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need to set single_enable to 0 after single() was removed

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Axel Kohlmeyer 2020-02-26 12:58:10 +01:00
parent 91c31da576
commit 526c9a548f
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1 changed files with 1 additions and 0 deletions
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src/USER-DRUDE/pair_lj_cut_thole_long.cpp
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@ -54,6 +54,7 @@ using namespace MathConst;
PairLJCutTholeLong::PairLJCutTholeLong(LAMMPS *lmp) : Pair(lmp)
{
ewaldflag = pppmflag = 1;
single_enable = 0;
writedata = 1;
ftable = NULL;
qdist = 0.0;