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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1267 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2007-12-19 17:20:01 +00:00
parent 1d4e2aaaa5
commit 985dad5579
1 changed files with 2 additions and 2 deletions
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4
src/CLASS2/improper_class2.cpp
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@ -477,7 +477,7 @@ void ImproperClass2::compute(int eflag, int vflag)
if (evflag)
ev_tally(i1,i2,i3,i4,nlocal,newton_bond,eimproper,
fabcd[i1],fabcd[i3],fabcd[i4],
fabcd[0],fabcd[2],fabcd[3],
delr[0][0],delr[0][1],delr[0][2],
delr[1][0],delr[1][1],delr[1][2],
delr[2][0]-delr[1][0],delr[2][1]-delr[1][1],
@ -821,7 +821,7 @@ void ImproperClass2::angleangle(int eflag, int vflag)
if (evflag)
ev_tally(i1,i2,i3,i4,nlocal,newton_bond,eimproper,
fabcd[i1],fabcd[i3],fabcd[i4],
fabcd[0],fabcd[2],fabcd[3],
delxAB,delyAB,delzAB,delxBC,delyBC,delzBC,delxBD,delyBD,delzBD);
}
}