From 7c8c468fbb37e5fc4d9b27d376b06674fb8e9187 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 1 May 2014 17:55:20 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11871 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_move.cpp | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/src/fix_move.cpp b/src/fix_move.cpp index c39646fee0..120afdab73 100644 --- a/src/fix_move.cpp +++ b/src/fix_move.cpp @@ -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);