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Corrected error in etail and ptail

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13436 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps
2015-04-28 00:16:01 +00:00
parent 5a88d7477a
commit a6c0fb87e2
1 changed files with 1 additions and 1 deletions
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src/pair_lj_expand.cpp
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@ -282,7 +282,7 @@ double PairLJExpand::init_one(int i, int j)
double shift3 = shift2*shift[i][j];
etail_ij = 8.0*MY_PI*all[0]*all[1]*epsilon[i][j] *
sig6*(sig6*(1.0/(9.0*rc9) + shift[i][j]/(5.0*rc10) +
shift2/(11.0*rc11)) -
shift2/(11.0*rc11)) -
(1.0/(3.0*rc3) + shift[i][j]/(2.0*rc4) + shift2/(5.0*rc5)));
ptail_ij = 16.0*MY_PI*all[0]*all[1]*epsilon[i][j] *
sig6*(sig6*(2.0/(9.0*rc9) + 3.0*shift[i][j]/(5.0*rc10) +