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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2015-10-21 19:39:28 +00:00
parent abe4c06219
commit 8a10c55a3b
20 changed files with 38 additions and 21 deletions
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9
src/USER-MISC/fix_smd.cpp
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@ -210,6 +210,10 @@ void FixSMD::smd_tether()
fy = k_smd*dy*dr/r;
fz = k_smd*dz*dr/r;
pmf += (fx*xn + fy*yn + fz*zn) * v_smd * update->dt;
} else {
fx = 0.0;
fy = 0.0;
fz = 0.0;
}
} else {
r_old = r;
@ -306,8 +310,11 @@ void FixSMD::smd_couple()
fy = k_smd*dy*dr/r;
fz = k_smd*dz*dr/r;
pmf += (fx*xn + fy*yn + fz*zn) * fsign * v_smd * update->dt;
} else {
fx = 0.0;
fy = 0.0;
fz = 0.0;
}
} else {
dx = xcm2[0] - xcm[0];
dy = xcm2[1] - xcm[1];