Unverified Commit 1214e6ea authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

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

parent c2b2be5d

src/MANYBODY/pair_rebo.cpp

+0 −2
Original line number Diff line number Diff line
@@ -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;

src/USER-INTEL/pair_airebo_intel.h

+0 −1
Original line number Diff line number Diff line
@@ -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 {

src/USER-INTEL/pair_rebo_intel.cpp

+0 −5
Original line number Diff line number Diff line
@@ -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;

}

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