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

This commit is contained in:
Andrew Schultz 2019-07-12 22:42:23 -04:00
parent b675edcf5c
commit 226e68a784
3 changed files with 3 additions and 3 deletions
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2
src/pair.cpp
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@ -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;

2
src/pair.h
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@ -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,

2
src/pair_lj_smooth_linear.cpp
View File

@ -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;
}