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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11871 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-05-01 17:55:20 +00:00
parent b672dd16db
commit 7c8c468fbb
1 changed files with 12 additions and 0 deletions
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12
src/fix_move.cpp
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@ -583,31 +583,43 @@ void FixMove::initial_integrate(int vflag)
if (xvarstyle == EQUAL) dx = input->variable->compute_equal(xvar);
else if (displace)
input->variable->compute_atom(xvar,igroup,&displace[0][0],3,0);
else
input->variable->compute_atom(xvar,igroup,NULL,3,0);
}
if (yvarstr) {
if (yvarstyle == EQUAL) dy = input->variable->compute_equal(yvar);
else if (displace)
input->variable->compute_atom(yvar,igroup,&displace[0][1],3,0);
else
input->variable->compute_atom(yvar,igroup,NULL,3,0);
}
if (zvarstr) {
if (zvarstyle == EQUAL) dz = input->variable->compute_equal(zvar);
else if (displace)
input->variable->compute_atom(zvar,igroup,&displace[0][2],3,0);
else
input->variable->compute_atom(zvar,igroup,NULL,3,0);
}
if (vxvarstr) {
if (vxvarstyle == EQUAL) vx = input->variable->compute_equal(vxvar);
else if (velocity)
input->variable->compute_atom(vxvar,igroup,&velocity[0][0],3,0);
else
input->variable->compute_atom(vxvar,igroup,NULL,3,0);
}
if (vyvarstr) {
if (vyvarstyle == EQUAL) vy = input->variable->compute_equal(vyvar);
else if (velocity)
input->variable->compute_atom(vyvar,igroup,&velocity[0][1],3,0);
else
input->variable->compute_atom(vyvar,igroup,NULL,3,0);
}
if (vzvarstr) {
if (vzvarstyle == EQUAL) vz = input->variable->compute_equal(vzvar);
else if (velocity)
input->variable->compute_atom(vzvar,igroup,&velocity[0][2],3,0);
else
input->variable->compute_atom(vzvar,igroup,NULL,3,0);
}
modify->addstep_compute(update->ntimestep + 1);