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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8751 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-08-31 16:04:16 +00:00
parent c1a1546e84
commit 23949bbeb6
1 changed files with 39 additions and 41 deletions
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8
src/RIGID/fix_rigid_nh.cpp
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@ -55,9 +55,6 @@ FixRigidNH::FixRigidNH(LAMMPS *lmp, int narg, char **arg) :
(p_flag[1] == 1 && p_period[1] <= 0.0) ||
(p_flag[2] == 1 && p_period[2] <= 0.0))
error->all(FLERR,"Fix rigid npt/nph period must be > 0.0");
if (domain->nonperiodic)
error->all(FLERR,
"Cannot use fix rigid npt/nph with non-periodic dimension");
if (dimension == 2 && p_flag[2])
error->all(FLERR,"Invalid fix rigid npt/nph command for a 2d simulation");
@ -453,9 +450,9 @@ void FixRigidNH::initial_integrate(int vflag)
if (tstat_flag) {
akin_t = akin_r = 0.0;
tmp = exp(-1.0 * dtq * eta_dot_t[0]);
tmp = exp(-dtq * eta_dot_t[0]);
scale_t[0] = scale_t[1] = scale_t[2] = tmp;
tmp = exp(-1.0 * dtq * eta_dot_r[0]);
tmp = exp(-dtq * eta_dot_r[0]);
scale_r = tmp;
}
@ -1434,3 +1431,4 @@ void FixRigidNH::deallocate_order()
delete [] wdti2;
delete [] wdti4;
}