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

This commit is contained in:
sjplimp 2012-06-01 17:13:34 +00:00
parent e9342b00e0
commit 2c77342ed3
2 changed files with 17 additions and 0 deletions
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7
src/USER-OMP/pair_edip_omp.cpp
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@ -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) :

10
src/USER-OMP/pair_tersoff_table_omp.cpp
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@ -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) :