release version 3.0.4 on 2014-10-30_18-31-03

src/normal_model_hooke_hysteresis.h

@@ -95,7 +95,7 @@ namespace ContactModels
       const double deltan = cdata.deltan;
       double ri = cdata.radi;
       double rj = cdata.radj;
-      double reff=ri*rj/(ri+rj);
+      double reff=cdata.is_wall ? cdata.radi : (ri*rj/(ri+rj));
       double meff=cdata.meff;
       double coeffRestLogChosen;
 

src/rolling_model_cdt.h

@@ -106,7 +106,7 @@ namespace ContactModels
           const double enz = cdata.en[2];
 
           // calculate torque
-          const double reff=radi*radj/(radi+radj);
+          const double reff= cdata.is_wall ? radi : (radi*radj/(radi+radj));
           vectorScalarMult3D(wr_roll,rmu*cdata.kn*cdata.deltan*reff/wr_rollmag,r_torque);
 
           // remove normal (torsion) part of torque

src/rolling_model_epsd.h

@@ -94,7 +94,7 @@ namespace ContactModels
 
         const double radi = cdata.radi;
         const double radj = cdata.radj;
-        const double reff=radi*radj/(radi+radj);
+        const double reff = cdata.is_wall ? radi : (radi*radj/(radi+radj));
         const double * const * const omega = atom->omega;
 
         const double r_inertia_red_i = cdata.mi*radi*radi;

src/rolling_model_epsd2.h

@@ -88,7 +88,7 @@ namespace ContactModels
 
         const double radi = cdata.radi;
         const double radj = cdata.radj;
-        const double reff=radi*radj/(radi+radj);
+        const double reff = cdata.is_wall ? radi : (radi*radj/(radi+radj));
         const double * const * const omega = atom->omega;
 
         // relative rotational velocity

src/scalar_container.h

@@ -38,6 +38,7 @@ namespace LAMMPS_NS
   class ScalarContainer : public GeneralContainer <T, 1, 1>
   {
     public:
+          ScalarContainer();
           ScalarContainer(const char *_id);
           ScalarContainer(const char *_id, const char *_comm, const char *_ref, const char *_restart, int _scalePower = 1);
           ScalarContainer(ScalarContainer<T> const &orig);
@@ -53,12 +54,21 @@ namespace LAMMPS_NS
           T const& operator() (int n) const;
           T max();
           T max(int);
+          int pushToBuffer_plain(double *buf);
+          int pullFromBuffer_plain(double *buf);
   };
 
   /* ----------------------------------------------------------------------
    constructors
   ------------------------------------------------------------------------- */
 
+  template<typename T>
+  ScalarContainer<T>::ScalarContainer()
+  : GeneralContainer<T,1,1>(0)
+  {
+
+  }
+
   template<typename T>
   ScalarContainer<T>::ScalarContainer(const char *_id)
   : GeneralContainer<T,1,1>(_id)
@@ -189,5 +199,31 @@ namespace LAMMPS_NS
 
       return maxim;
   }
+
+  template<typename T>
+  int ScalarContainer<T>::pushToBuffer_plain(double *buf)
+  {
+      int len = this->size();
+
+      int m = 0;
+
+      for(int i = 0; i < len; i++)
+        buf[m++] = static_cast<double>(this->arr_[i][0][0]);
+
+      return len;
+  }
+
+  template<typename T>
+  int ScalarContainer<T>::pullFromBuffer_plain(double *buf)
+  {
+      int len = this->size();
+
+      int m = 0;
+
+      for(int i = 0; i < len; i++)
+        this->arr_[i][0][0] = static_cast<T>(buf[m++]);
+
+      return len;
+  }
 } /* LAMMPS_NS */
 #endif /* SCALARCONTAINER_H_ */

src/tangential_model_history.h

@@ -24,6 +24,7 @@
    Christoph Kloss (JKU Linz, DCS Computing GmbH, Linz)
    Richard Berger (JKU Linz)
 ------------------------------------------------------------------------- */
+
 #ifdef TANGENTIAL_MODEL
 TANGENTIAL_MODEL(TANGENTIAL_HISTORY,history,1)
 #else

src/tracking_mesh.h

@@ -79,6 +79,9 @@ namespace LAMMPS_NS{
         inline bool verbose()
         { return verbose_; }
 
+        inline void check_element_property_consistency()
+        { customValues_.check_element_property_consistency(this->sizeLocal()+this->sizeGhost()); }
+
       protected:
 
         TrackingMesh(LAMMPS *lmp);

src/vector_liggghts.h

@@ -137,6 +137,24 @@ inline void vectorAbs3D(double *v)
     if(v[2] < 0) v[2] = -v[2];
 }
 
+inline double vectorMin3D(double *v,int &dim)
+{
+    if(v[0] < v[1] && v[0] < v[2])
+    {
+        dim = 0;
+        return v[0];
+    }
+
+    if(v[1] < v[2])
+    {
+        dim = 1;
+        return v[1];
+    }
+
+    dim = 2;
+    return v[2];
+}
+
 inline double vectorMin3D(double *v)
 {
     if(v[0] < v[1] && v[0] < v[2])

src/version_liggghts.h

-#define LIGGGHTS_VERSION "LIGGGHTS-PUBLIC 3.0.3, compiled 2014-08-28-20:04:12 by kloss"
+#define LIGGGHTS_VERSION "LIGGGHTS-PUBLIC 3.0.4, compiled 2014-10-30-18:28:32 by kloss"

src/version_liggghts.txt

-3.0.3
+3.0.4