git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3483 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/GRANULAR/fix_wall_gran.cpp

@@ -51,6 +51,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
 
   restart_peratom = 1;
   create_attribute = 1;
+  time_depend = 1;
 
   // wall/particle coefficients
 
@@ -179,6 +180,8 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
   int nlocal = atom->nlocal;
   for (int i = 0; i < nlocal; i++)
     shear[i][0] = shear[i][1] = shear[i][2] = 0.0;
+
+  time_origin = update->ntimestep;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -251,7 +254,7 @@ void FixWallGran::post_force(int vflag)
   double whi = hi;
   vwall[0] = vwall[1] = vwall[2] = 0.0;
   if (wiggle) {
-    double arg = omega * (update->ntimestep - update->beginstep) * dt;
+    double arg = omega * (update->ntimestep - time_origin) * dt;
     wlo = lo + amplitude - amplitude*cos(arg);
     whi = hi + amplitude - amplitude*cos(arg);
     vwall[axis] = amplitude*omega*sin(arg);

src/GRANULAR/fix_wall_gran.h

@@ -44,9 +44,10 @@ class FixWallGran : public Fix {
   int wallstyle,pairstyle,wiggle,wshear,axis;
   double kn,kt,gamman,gammat,xmu;
   double lo,hi,cylradius;
-  double amplitude,period,omega,time_origin,vshear;
+  double amplitude,period,omega,vshear;
   double dt;
   int nlevels_respa;
+  int time_origin;
 
   int *touch;
   double **shear;

src/compute_heat_flux.cpp

@@ -131,6 +131,10 @@ void ComputeHeatFlux::compute_vector()
 
   neighbor->build_one(list->index);
 
+  // invoke ghost comm to insure ghost vels are up-to-date
+
+  comm->forward_comm();
+
   inum = list->inum;
   ilist = list->ilist;
   numneigh = list->numneigh;

src/fix_gravity.cpp

@@ -33,6 +33,8 @@ FixGravity::FixGravity(LAMMPS *lmp, int narg, char **arg) :
 {
   if (narg < 5) error->all("Illegal fix gravity command");
 
+  time_depend = 1;
+
   magnitude = atof(arg[3]);
 
   if (strcmp(arg[4],"chute") == 0) {
@@ -86,6 +88,8 @@ FixGravity::FixGravity(LAMMPS *lmp, int narg, char **arg) :
       zgrav = 0.0;
     }
   }
+
+  time_origin = update->ntimestep;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -134,15 +138,15 @@ void FixGravity::post_force(int vflag)
   if (style == GRADIENT) {
     if (domain->dimension == 3) {
       double phi_current = degree2rad * 
-	(phi + (update->ntimestep-update->beginstep)*dt*phigrad*360.0);
+	(phi + (update->ntimestep - time_origin)*dt*phigrad*360.0);
       double theta_current = degree2rad * 
-	(theta + (update->ntimestep-update->beginstep)*dt*thetagrad*360.0);
+	(theta + (update->ntimestep - time_origin)*dt*thetagrad*360.0);
       xgrav = sin(theta_current) * cos(phi_current);
       ygrav = sin(theta_current) * sin(phi_current);
       zgrav = cos(theta_current);
     } else {
       double theta_current = degree2rad * 
-	(theta + (update->ntimestep-update->beginstep)*dt*thetagrad*360.0);
+	(theta + (update->ntimestep - time_origin)*dt*thetagrad*360.0);
       xgrav = sin(theta_current);
       ygrav = cos(theta_current);
     }

src/fix_gravity.h

@@ -37,6 +37,7 @@ class FixGravity : public Fix {
   double xgrav,ygrav,zgrav,xacc,yacc,zacc;
   double degree2rad;
   int nlevels_respa;
+  int time_origin;
 };
 
 }

src/fix_move.cpp

@@ -45,6 +45,7 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
   size_peratom = 3;
   peratom_freq = 1;
   time_integrate = 1;
+  time_depend = 1;
 
   // parse args
 
@@ -254,6 +255,8 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
     if (mask[i] & groupbit) domain->unmap(x[i],image[i],xoriginal[i]);
     else xoriginal[i][0] = xoriginal[i][1] = xoriginal[i][2] = 0.0;
   }
+
+  time_origin = update->ntimestep;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -368,7 +371,7 @@ void FixMove::initial_integrate(int vflag)
   double xold[3],a[3],b[3],c[3],d[3],disp[3];
   double x0dotr,dx,dy,dz;
 
-  double delta = (update->ntimestep - update->beginstep) * dt;
+  double delta = (update->ntimestep - time_origin) * dt;
 
   double **x = atom->x;
   double **v = atom->v;

src/fix_move.h

@@ -50,6 +50,7 @@ class FixMove : public Fix {
   int xvar,yvar,zvar,vxvar,vyvar,vzvar;
   int xvarstyle,yvarstyle,zvarstyle,vxvarstyle,vyvarstyle,vzvarstyle;
   int omega_flag,nlevels_respa;
+  int time_origin;
 
   double **xoriginal;         // original coords of atoms
   int displaceflag,velocityflag;

src/fix_wall.cpp

@@ -38,6 +38,7 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
   scalar_vector_freq = 1;
   extscalar = 1;
   extvector = 1;
+  time_depend = 1;
 
   // parse args
 
@@ -148,6 +149,8 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
 
   eflag = 0;
   for (int m = 0; m < 7; m++) ewall[m] = 0.0;
+
+  time_origin = update->ntimestep;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -207,7 +210,7 @@ void FixWall::post_force(int vflag)
   // coord0 = initial position of wall
   // coord = current position of wall
 
-  double delta = (update->ntimestep - update->beginstep) * dt;
+  double delta = (update->ntimestep - time_origin) * dt;
   double coord;
 
   for (int m = 0; m < 6; m++) {

src/fix_wall.h

@@ -45,6 +45,7 @@ class FixWall : public Fix {
   double ewall[7],ewall_all[7];
   int nlevels_respa;
   double dt;
+  int time_origin;
 };
 
 }