From 226e68a784ca00aaa69db53ef91a4a847a877216 Mon Sep 17 00:00:00 2001 From: Andrew Schultz Date: Fri, 12 Jul 2019 22:42:23 -0400 Subject: [PATCH] Rename Pair::pairTensor() => Pair::hessian_twobody() --- src/pair.cpp | 2 +- src/pair.h | 2 +- src/pair_lj_smooth_linear.cpp | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/pair.cpp b/src/pair.cpp index 43fc9bc907..ea2ad9509e 100644 --- a/src/pair.cpp +++ b/src/pair.cpp @@ -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; diff --git a/src/pair.h b/src/pair.h index d85b9af0c3..38772d2f5d 100644 --- a/src/pair.h +++ b/src/pair.h @@ -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, diff --git a/src/pair_lj_smooth_linear.cpp b/src/pair_lj_smooth_linear.cpp index 3ebdda4143..8d77436780 100644 --- a/src/pair_lj_smooth_linear.cpp +++ b/src/pair_lj_smooth_linear.cpp @@ -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; }