git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14336 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/accelerator_kokkos.h

@@ -86,6 +86,7 @@ class ModifyKokkos : public Modify {
 class DAT {
  public:
   typedef double tdual_xfloat_1d;
+  typedef int t_int_1d;
   typedef int tdual_int_2d;
 };
 

src/domain.cpp

@@ -1504,6 +1504,46 @@ void Domain::add_region(int narg, char **arg)
 
   if (strcmp(arg[1],"none") == 0) error->all(FLERR,"Unknown region style");
 
+  if (lmp->suffix_enable) {
+    if (lmp->suffix) {
+      char estyle[256];
+      sprintf(estyle,"%s/%s",arg[1],lmp->suffix);
+
+      if (0) return;
+
+#define REGION_CLASS
+#define RegionStyle(key,Class) \
+      else if (strcmp(estyle,#key) == 0) { \
+            regions[nregion] = new Class(lmp,narg,arg); \
+            regions[nregion]->init(); \
+            nregion++; \
+            return; \
+      }
+#include "style_region.h"
+#undef RegionStyle
+#undef REGION_CLASS
+    }
+
+    if (lmp->suffix2) {
+      char estyle[256];
+      sprintf(estyle,"%s/%s",arg[1],lmp->suffix2);
+
+      if (0) return;
+
+#define REGION_CLASS
+#define RegionStyle(key,Class) \
+      else if (strcmp(estyle,#key) == 0) { \
+            regions[nregion] = new Class(lmp,narg,arg); \
+            regions[nregion]->init(); \
+            nregion++; \
+            return; \
+      }
+#include "style_region.h"
+#undef RegionStyle
+#undef REGION_CLASS
+    }
+  }
+
 #define REGION_CLASS
 #define RegionStyle(key,Class) \
   else if (strcmp(arg[1],#key) == 0) \

src/fix_setforce.cpp

@@ -107,6 +107,8 @@ FixSetForce::FixSetForce(LAMMPS *lmp, int narg, char **arg) :
 
 FixSetForce::~FixSetForce()
 {
+  if (copymode) return;
+
   delete [] xstr;
   delete [] ystr;
   delete [] zstr;

src/fix_setforce.h

@@ -27,18 +27,18 @@ namespace LAMMPS_NS {
 class FixSetForce : public Fix {
  public:
   FixSetForce(class LAMMPS *, int, char **);
-  ~FixSetForce();
+  virtual ~FixSetForce();
   int setmask();
-  void init();
+  virtual void init();
   void setup(int);
   void min_setup(int);
-  void post_force(int);
+  virtual void post_force(int);
   void post_force_respa(int, int, int);
   void min_post_force(int);
   double compute_vector(int);
   double memory_usage();
 
- private:
+ protected:
   double xvalue,yvalue,zvalue;
   int varflag,iregion;
   char *xstr,*ystr,*zstr;

src/region.cpp

@@ -40,12 +40,16 @@ Region::Region(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   varshape = 0;
   xstr = ystr = zstr = tstr = NULL;
   dx = dy = dz = 0.0;
+
+  copymode = 0;
 }
 
 /* ---------------------------------------------------------------------- */
 
 Region::~Region()
 {
+  if (copymode) return;
+
   delete [] id;
   delete [] style;
 
@@ -128,6 +132,15 @@ int Region::match(double x, double y, double z)
   return !(inside(x,y,z) ^ interior);
 }
 
+/* ----------------------------------------------------------------------
+   generate error if Kokkos function defaults to base class
+------------------------------------------------------------------------- */
+
+void Region::match_all_kokkos(int, DAT::t_int_1d)
+{
+  error->all(FLERR,"Can only use Kokkos supported regions with Kokkos package");
+}
+
 /* ----------------------------------------------------------------------
    generate list of contact points for interior or exterior regions
    if region has variable shape, invoke shape_update() once per timestep

src/region.h

@@ -15,6 +15,7 @@
 #define LMP_REGION_H
 
 #include "pointers.h"
+#include "accelerator_kokkos.h"
 
 namespace LAMMPS_NS {
 
@@ -31,6 +32,8 @@ class Region : protected Pointers {
   int varshape;                     // 1 if region shape changes over time
   int dynamic;                      // 1 if position/orient changes over time
 
+  int copymode;                     // 1 if copy of original class
+
   // contact = particle near region surface
 
   struct Contact {
@@ -59,11 +62,14 @@ class Region : protected Pointers {
   virtual void shape_update() {}
   virtual void pretransform();
 
+  // Kokkos function, implemented by each Kokkos region
+
+  virtual void match_all_kokkos(int, DAT::t_int_1d);
+
  protected:
   void add_contact(int, double *, double, double, double);
   void options(int, char **);
 
- private:
   int moveflag,rotateflag;         // 1 if position/orientation changes
 
   double point[3],axis[3],runit[3];

src/region_block.cpp

@@ -103,6 +103,8 @@ RegBlock::RegBlock(LAMMPS *lmp, int narg, char **arg) : Region(lmp, narg, arg)
 
 RegBlock::~RegBlock()
 {
+  if (copymode) return;
+
   delete [] contact;
 }
 

src/region_block.h

@@ -34,7 +34,7 @@ class RegBlock : public Region {
   int surface_interior(double *, double);
   int surface_exterior(double *, double);
 
- private:
+ protected:
   double xlo,xhi,ylo,yhi,zlo,zhi;
 };