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make sure that coul/exclude special neighbors are always flagged

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This commit is contained in:
Axel Kohlmeyer
2021-08-19 04:23:26 -04:00
parent 3a7a5d13ef
commit 89de4eb7c4
1 changed files with 2 additions and 0 deletions
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2
src/neighbor.cpp
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@ -528,6 +528,7 @@ void Neighbor::init()
for (int isub=0; isub < ph->nstyles; ++isub) {
if (force->pair_match("coul/wolf",0,isub)
|| force->pair_match("coul/dsf",0,isub)
|| force->pair_match("coul/exclude",0)
|| force->pair_match("thole",0,isub))
++flag;
}
@ -536,6 +537,7 @@ void Neighbor::init()
} else {
if (force->pair_match("coul/wolf",0)
|| force->pair_match("coul/dsf",0)
|| force->pair_match("coul/exclude",0)
|| force->pair_match("thole",0))
special_flag[1] = special_flag[2] = special_flag[3] = 2;
}