implemented recommended change to remove global class member (1235e771) · Commits · 郑智淋 / lammps

src/MANYBODY/pair_airebo.cpp

+1 −6

Original line number	Diff line number	Diff line
		@@ -168,10 +168,6 @@ void PairAIREBO::settings(int narg, char **arg)
		sigwid = sigcut - sigmin;
		}

		// this one parameter for C-C interactions is different in AIREBO vs REBO
		// see Favata, Micheletti, Ryu, Pugno, Comp Phys Comm (2016)

		PCCf_2_0 = -0.0276030;
		}

		/* ----------------------------------------------------------------------
		@@ -4373,8 +4369,7 @@ void PairAIREBO::spline_init()
		// 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] = PCCf_2_0;

		PCCf[2][0] = -0.0276030;
		PCCf[2][1] = 0.00317953083;

		PCHf[0][1] = 0.209336733;

+0 −1

Original line number	Diff line number	Diff line
		@@ -84,7 +84,6 @@ class PairAIREBO : public Pair {

		// spline knot values

		double PCCf_2_0;
		double PCCf[5][5],PCCdfdx[5][5],PCCdfdy[5][5],PCHf[5][5];
		double PCHdfdx[5][5],PCHdfdy[5][5];
		double piCCf[5][5][11],piCCdfdx[5][5][11];

+0 −1

Original line number	Diff line number	Diff line
		@@ -30,7 +30,6 @@ void PairREBO::settings(int narg, char */arg*/)

		cutlj = 0.0;
		ljflag = torflag = 0;
		PCCf_2_0 = -0.0276030;
		}

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