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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13903 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-08-19 14:55:57 +00:00
parent 16eed7a053
commit 2f55b6da36
10 changed files with 10 additions and 14 deletions
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6
src/pair_zbl.cpp
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@ -359,7 +359,7 @@ double PairZBL::e_zbl(double r, int i, int j) {
double result = zzeij*sum*rinv;
return result;
};
}
/* ----------------------------------------------------------------------
@ -393,7 +393,7 @@ double PairZBL::dzbldr(double r, int i, int j) {
double result = zzeij*(sum_p - sum*rinv)*rinv;
return result;
};
}
/* ----------------------------------------------------------------------
compute ZBL second derivative
@ -432,5 +432,5 @@ double PairZBL::d2zbldr2(double r, int i, int j) {
2.0*sum*rinv*rinv)*rinv;
return result;
};
}