align USER-INTEL versions of REBO/AIREBO with MANYBODY implementation

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Axel Kohlmeyer 2019-05-04 20:08:34 -04:00
parent c2b2be5d6f
commit 1214e6ea79
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3 changed files with 0 additions and 8 deletions

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@ -41,8 +41,6 @@ void PairREBO::settings(int narg, char **/*arg*/)
void PairREBO::spline_init() {
PairAIREBO::spline_init();
int i,j,k;
PCCf[0][2] = 0.007860700254745;
PCCf[0][3] = 0.016125364564267;
PCCf[1][1] = 0.003026697473481;

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@ -27,7 +27,6 @@ PairStyle(airebo/intel,PairAIREBOIntel)
#include "pair.h"
#include "fix_intel.h"
#include "pair_airebo.h"
//#include "airebo_common.h"
namespace LAMMPS_NS {

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@ -34,9 +34,4 @@ void PairREBOIntel::settings(int narg, char ** /* arg */)
cutlj = 0.0;
ljflag = torflag = 0;
//
// this one parameter for C-C interactions is different in REBO vs AIREBO
// see Favata, Micheletti, Ryu, Pugno, Comp Phys Comm (2016)
PCCf_2_0 = 0.0;
}