(8d044dd3) · Commits · 郑智淋 / lammps

src/MANYBODY/pair_airebo.cpp

+4 −7

Original line number	Diff line number	Diff line
		@@ -2977,7 +2977,7 @@ double PairAIREBO::PijSpline(double NijC, double NijH, int typei, int typej,
		double PairAIREBO::piRCSpline(double Nij, double Nji, double Nijconj,
		int typei, int typej, double dN3[3])
		{
		int x,y,z,i,j,k,l,trigger,done;
		int x,y,z,i,j,k,l,done;
		double piRC,coeffs[64];
		x=0;
		y=0;
		@@ -2985,10 +2985,9 @@ double PairAIREBO::piRCSpline(double Nij, double Nji, double Nijconj,
		i=0;
		j=0;
		done=0;
		trigger=0;
		for (i=0; i<64; i++) {
		coeffs[i]=0.0;
		}

		for (i=0; i<64; i++) coeffs[i]=0.0;

		if (typei==0 && typej==0) {
		//if the inputs are out of bounds set them back to a point in bounds
		if (Nij<piCCdom[0][0]) Nij=piCCdom[0][0];
		@@ -3100,14 +3099,12 @@ double PairAIREBO::TijSpline(double Nij, double Nji,
		{
		int x,y,z,i,done;
		double Tijf,coeffs[64];
		int trigger;

		x=0;
		y=0;
		z=0;
		i=0;
		Tijf=0.0;
		trigger=0;
		done=0;
		for (i=0; i<64; i++) coeffs[i]=0.0;