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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6281 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-06-01 15:03:14 +00:00
parent 2e7edca71d
commit 75a875e0fc
1 changed files with 1 additions and 1 deletions
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2
src/KSPACE/pppm.cpp
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@ -169,7 +169,7 @@ void PPPM::init()
if (typeA < 1 || typeA > atom->nangletypes ||
force->angle->setflag[typeA] == 0)
error->all("Bad TIP4P angle type for PPPM/TIP4P");
if (typeB < 1 || typeA > atom->nbondtypes ||
if (typeB < 1 || typeB > atom->nbondtypes ||
force->bond->setflag[typeB] == 0)
error->all("Bad TIP4P bond type for PPPM/TIP4P");
double theta = force->angle->equilibrium_angle(typeA);