Commit 226e68a7 authored by Andrew Schultz's avatar Andrew Schultz
Browse files

Rename Pair::pairTensor() => Pair::hessian_twobody()

parent b675edcf

src/pair.cpp

+1 −1
Original line number Diff line number Diff line
@@ -1746,7 +1746,7 @@ void Pair::init_bitmap(double inner, double outer, int ntablebits, 


/* ---------------------------------------------------------------------- */



void Pair::pairTensor(double fforce, double dfac, double delr[3], double phiTensor[6]) {

void Pair::hessian_twobody(double fforce, double dfac, double delr[3], double phiTensor[6]) {

  int m = 0;

  for (int k=0; k<3; k++) {

    phiTensor[m] = fforce;

src/pair.h

+1 −1
Original line number Diff line number Diff line
@@ -149,7 +149,7 @@ class Pair : protected Pointers { 
    return 0.0;

  }



  void pairTensor(double fforce, double dfac, double delr[3], double phiTensor[6]);

  void hessian_twobody(double fforce, double dfac, double delr[3], double phiTensor[6]);



  virtual double single_hessian(int, int, int, int,

                        double, double[3], double, double,

src/pair_lj_smooth_linear.cpp

+1 −1
Original line number Diff line number Diff line
@@ -368,6 +368,6 @@ double PairLJSmoothLinear::single_hessian(int /*i*/, int /*j*/, int itype, int j 
                + (r-cut[itype][jtype])*dljcut[itype][jtype];



  double d2r = factor_lj * r6inv * (13.0*lj1[itype][jtype]*r6inv - 7.0*lj2[itype][jtype])/rsq;

  pairTensor(fforce, -(fforce + d2r) / rsq, delr, d2u);

  hessian_twobody(fforce, -(fforce + d2r) / rsq, delr, d2u);

  return factor_lj*philj;

}

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