git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2755 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/GRANULAR/fix_freeze.cpp

@@ -14,8 +14,10 @@
 #include "string.h"
 #include "fix_freeze.h"
 #include "atom.h"
+#include "update.h"
 #include "modify.h"
 #include "comm.h"
+#include "respa.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
@@ -37,6 +39,7 @@ int FixFreeze::setmask()
 {
   int mask = 0;
   mask |= POST_FORCE;
+  mask |= POST_FORCE_RESPA;
   return mask;
 }
 
@@ -57,7 +60,16 @@ void FixFreeze::init()
 
 void FixFreeze::setup(int vflag)
 {
+  if (strcmp(update->integrate_style,"verlet") == 0)
     post_force(vflag);
+  else {
+    int nlevels_respa = ((Respa *) update->integrate)->nlevels;
+    for (int ilevel = 0; ilevel < nlevels_respa; ilevel++) {
+      ((Respa *) update->integrate)->copy_flevel_f(ilevel);
+      post_force_respa(vflag,ilevel,0);
+      ((Respa *) update->integrate)->copy_f_flevel(ilevel);
+    }
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -80,3 +92,11 @@ void FixFreeze::post_force(int vflag)
       torque[i][2] = 0.0;
     }
 }
+
+/* ---------------------------------------------------------------------- */
+
+void FixFreeze::post_force_respa(int vflag, int ilevel, int iloop)
+{
+  post_force(vflag);
+}
+

src/GRANULAR/fix_freeze.h

@@ -25,6 +25,7 @@ class FixFreeze : public Fix {
   void init();
   void setup(int);
   void post_force(int);
+  void post_force_respa(int, int, int);
 };
 
 }

src/GRANULAR/fix_wall_gran.cpp

@@ -25,6 +25,7 @@
 #include "force.h"
 #include "pair.h"
 #include "modify.h"
+#include "respa.h"
 #include "memory.h"
 #include "error.h"
 
@@ -202,6 +203,7 @@ int FixWallGran::setmask()
 {
   int mask = 0;
   mask |= POST_FORCE;
+  mask |= POST_FORCE_RESPA;
   return mask;
 }
 
@@ -211,6 +213,9 @@ void FixWallGran::init()
 {
   dt = update->dt;
 
+  if (strcmp(update->integrate_style,"respa") == 0)
+    nlevels_respa = ((Respa *) update->integrate)->nlevels;
+
   // set pairstyle from granular pair style
 
   if (force->pair_match("gran/hooke",1))
@@ -226,7 +231,13 @@ void FixWallGran::init()
 
 void FixWallGran::setup(int vflag)
 {
+  if (strcmp(update->integrate_style,"verlet") == 0)
     post_force(vflag);
+  else {
+    ((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1);
+    post_force_respa(vflag,nlevels_respa-1,0);
+    ((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -328,6 +339,13 @@ void FixWallGran::post_force(int vflag)
 
 /* ---------------------------------------------------------------------- */
 
+void FixWallGran::post_force_respa(int vflag, int ilevel, int iloop)
+{
+  if (ilevel == nlevels_respa-1) post_force(vflag);
+}
+
+/* ---------------------------------------------------------------------- */
+
 void FixWallGran::hooke(double rsq, double dx, double dy, double dz,
 			double *vwall, double *v,
 			double *f, double *omega, double *torque,

src/GRANULAR/fix_wall_gran.h

@@ -26,6 +26,7 @@ class FixWallGran : public Fix {
   void init();
   void setup(int);
   void post_force(int);
+  void post_force_respa(int, int, int);
 
   double memory_usage();
   void grow_arrays(int);
@@ -44,6 +45,7 @@ class FixWallGran : public Fix {
   double lo,hi,cylradius;
   double amplitude,period,omega,time_origin,vshear;
   double dt;
+  int nlevels_respa;
 
   int *touch;
   double **shear;

src/fix_gravity.cpp

@@ -19,6 +19,7 @@
 #include "atom.h"
 #include "update.h"
 #include "domain.h"
+#include "respa.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
@@ -97,6 +98,7 @@ int FixGravity::setmask()
 {
   int mask = 0;
   mask |= POST_FORCE;
+  mask |= POST_FORCE_RESPA;
   return mask;
 }
 
@@ -104,6 +106,9 @@ int FixGravity::setmask()
 
 void FixGravity::init()
 {
+  if (strcmp(update->integrate_style,"respa") == 0)
+    nlevels_respa = ((Respa *) update->integrate)->nlevels;
+
   dt = update->dt;
 
   xacc = magnitude*xgrav;
@@ -115,7 +120,13 @@ void FixGravity::init()
 
 void FixGravity::setup(int vflag)
 {
+  if (strcmp(update->integrate_style,"verlet") == 0)
     post_force(vflag);
+  else {
+    ((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1);
+    post_force_respa(vflag,nlevels_respa-1,0);
+    ((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
+  }
 }
 
 /* ---------------------------------------------------------------------- */
@@ -170,3 +181,10 @@ void FixGravity::post_force(int vflag)
       }
   }
 }
+
+/* ---------------------------------------------------------------------- */
+
+void FixGravity::post_force_respa(int vflag, int ilevel, int iloop)
+{
+  if (ilevel == nlevels_respa-1) post_force(vflag);
+}

src/fix_gravity.h

@@ -27,6 +27,7 @@ class FixGravity : public Fix {
   void init();
   void setup(int);
   void post_force(int);
+  void post_force_respa(int, int, int);
 
  private:
   int style,time_initial;
@@ -35,6 +36,7 @@ class FixGravity : public Fix {
   double xdir,ydir,zdir;
   double xgrav,ygrav,zgrav,xacc,yacc,zacc;
   double degree2rad;
+  int nlevels_respa;
 };
 
 }