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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11874 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-05-01 21:10:56 +00:00
parent 7c8c468fbb
commit c8fce1f525
6 changed files with 38 additions and 18 deletions
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24
src/MISC/fix_efield.cpp
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@ -327,16 +327,24 @@ void FixEfield::post_force(int vflag)
modify->clearstep_compute();
if (xstyle == EQUAL) ex = qe2f * input->variable->compute_equal(xvar);
else if (xstyle == ATOM && efield)
input->variable->compute_atom(xvar,igroup,&efield[0][0],3,0);
else if (xstyle == ATOM) {
if (efield) input->variable->compute_atom(xvar,igroup,&efield[0][0],3,0);
else input->variable->compute_atom(xvar,igroup,NULL,3,0);
}
if (ystyle == EQUAL) ey = qe2f * input->variable->compute_equal(yvar);
else if (ystyle == ATOM && efield)
input->variable->compute_atom(yvar,igroup,&efield[0][1],3,0);
else if (ystyle == ATOM) {
if (efield) input->variable->compute_atom(yvar,igroup,&efield[0][1],3,0);
else input->variable->compute_atom(yvar,igroup,NULL,3,0);
}
if (zstyle == EQUAL) ez = qe2f * input->variable->compute_equal(zvar);
else if (zstyle == ATOM && efield)
input->variable->compute_atom(zvar,igroup,&efield[0][2],3,0);
if (estyle == ATOM && efield)
input->variable->compute_atom(evar,igroup,&efield[0][3],4,0);
else if (zstyle == ATOM) {
if (efield) input->variable->compute_atom(zvar,igroup,&efield[0][2],3,0);
else input->variable->compute_atom(zvar,igroup,NULL,3,0);
}
if (estyle == ATOM) {
if (efield) input->variable->compute_atom(evar,igroup,&efield[0][3],4,0);
else input->variable->compute_atom(evar,igroup,NULL,4,0);
}
modify->addstep_compute(update->ntimestep + 1);