git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8204 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/USER-OMP/pair_edip_omp.cpp

@@ -23,6 +23,13 @@
 #include "suffix.h"
 using namespace LAMMPS_NS;
 
+#define GRIDDENSITY 8000
+#define GRIDSTART 0.1
+
+// max number of interaction per atom for f(Z) environment potential
+
+#define leadDimInteractionList 64
+
 /* ---------------------------------------------------------------------- */
 
 PairEDIPOMP::PairEDIPOMP(LAMMPS *lmp) :

src/USER-OMP/pair_tersoff_table_omp.cpp

@@ -24,6 +24,16 @@
 #include "suffix.h"
 using namespace LAMMPS_NS;
 
+#define GRIDSTART 0.1
+#define GRIDDENSITY_FCUTOFF 5000
+#define GRIDDENSITY_EXP 12000
+#define GRIDDENSITY_GTETA 12000
+#define GRIDDENSITY_BIJ 7500
+
+// max number of interaction per atom for environment potential
+
+#define leadingDimensionInteractionList 64
+
 /* ---------------------------------------------------------------------- */
 
 PairTersoffTableOMP::PairTersoffTableOMP(LAMMPS *lmp) :