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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9261 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-01-11 16:50:56 +00:00
parent bad59e0fca
commit a6eb6e4f84
10 changed files with 16 additions and 20 deletions
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6
src/fix_restrain.cpp
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@ -213,7 +213,7 @@ void FixRestrain::restrain_bond(int m)
int newton_bond = force->newton_bond;
double delta = update->ntimestep - update->beginstep;
delta /= update->endstep - update->beginstep;
if (delta != 0.0) delta /= update->endstep - update->beginstep;
double k = kstart[m] + delta * (kstop[m] - kstart[m]);
i1 = atom->map(ids[m][0]);
@ -294,7 +294,7 @@ void FixRestrain::restrain_angle(int m)
int newton_bond = force->newton_bond;
double delta = update->ntimestep - update->beginstep;
delta /= update->endstep - update->beginstep;
if (delta != 0.0) delta /= update->endstep - update->beginstep;
double k = kstart[m] + delta * (kstop[m] - kstart[m]);
i1 = atom->map(ids[m][0]);
@ -422,7 +422,7 @@ void FixRestrain::restrain_dihedral(int m)
int newton_bond = force->newton_bond;
double delta = update->ntimestep - update->beginstep;
delta /= update->endstep - update->beginstep;
if (delta != 0.0) delta /= update->endstep - update->beginstep;
double k = kstart[m] + delta * (kstop[m] - kstart[m]);
i1 = atom->map(ids[m][0]);