Commit 039bda9b authored by Anders Hafreager's avatar Anders Hafreager Committed by Axel Kohlmeyer
Browse files

Added updated vashishta for KOKKOS support 

(cherry picked from commit 96089a42547f625e70aa2ac3933d248d2731b731)
parent 6929603e

src/MANYBODY/pair_vashishta.cpp

+2 −0
Original line number Diff line number Diff line
@@ -60,6 +60,8 @@ PairVashishta::PairVashishta(LAMMPS *lmp) : Pair(lmp) 


PairVashishta::~PairVashishta()

{

  if (copymode) return;

  

  if (elements)

    for (int i = 0; i < nelements; i++) delete [] elements[i];

  delete [] elements;

src/MANYBODY/pair_vashishta.h

+1 −2
Original line number Diff line number Diff line
@@ -34,7 +34,6 @@ class PairVashishta : public Pair { 
  double init_one(int, int);

  void init_style();



 protected:

  struct Param {

    double bigb,gamma,r0,bigc,costheta;

    double bigh,eta,zi,zj;
@@ -45,7 +44,7 @@ class PairVashishta : public Pair { 
    double lam1rc,lam4rc,vrcc2,vrcc3,vrc,dvrc,c0;

    int ielement,jelement,kelement;

  };



 protected:

  double cutmax;                // max cutoff for all elements

  int nelements;                // # of unique elements

  char **elements;              // names of unique elements

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