Recheck existence of pair style in init (9984cbc9) · Commits · 郑智淋 / lammps

src/compute_pressure.cpp

+15 −1

Original line number	Diff line number	Diff line
		@@ -87,7 +87,7 @@ ComputePressure::ComputePressure(LAMMPS lmp, int narg, char *arg) :
		pstyle = new char[n];
		strcpy(pstyle,arg[iarg++]);

		int nsub = 0;
		nsub = 0;

		if (narg > iarg) {
		if (isdigit(arg[iarg][0])) {
		@@ -166,6 +166,20 @@ void ComputePressure::init()
		temperature = modify->compute[icompute];
		}

		// recheck if pair style with and without suffix exists

		if (pairhybridflag) {
		pairhybrid = (Pair *) force->pair_match(pstyle,1,nsub);
		if (!pairhybrid && lmp->suffix) {
		strcat(pstyle,"/");
		strcat(pstyle,lmp->suffix);
		pairhybrid = (Pair *) force->pair_match(pstyle,1,nsub);
		}

		if (!pairhybrid)
		error->all(FLERR,"Unrecognized pair style in compute pressure command");
		}

		// detect contributions to virial
		// vptr points to all virial[6] contributions

+1 −0

Original line number	Diff line number	Diff line
		@@ -50,6 +50,7 @@ class ComputePressure : public Compute {

		private:
		char *pstyle;
		int nsub;
		};

		}