Fixed initialization of arrays in fixes (36e085e3) · Commits · 郑智淋 / lammps

src/fix_temp_csvr.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -113,7 +113,8 @@ double FixTempCSVR::resamplekin(double ekin_old, double ekin_new){
		/* ---------------------------------------------------------------------- */

		FixTempCSVR::FixTempCSVR(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		tstr(NULL), id_temp(NULL), random(NULL)
		{
		if (narg != 7) error->all(FLERR,"Illegal fix temp/csvr command");

+2 −1

Original line number	Diff line number	Diff line
		@@ -37,7 +37,8 @@ enum{CONSTANT,EQUAL};
		/* ---------------------------------------------------------------------- */

		FixTempRescale::FixTempRescale(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		tstr(NULL), id_temp(NULL), tflag(0)
		{
		if (narg < 8) error->all(FLERR,"Illegal fix temp/rescale command");

+2 −3

Original line number	Diff line number	Diff line
		@@ -39,7 +39,8 @@ using namespace FixConst;

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

		FixTMD::FixTMD(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg)
		FixTMD::FixTMD(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg),
		nfileevery(0), fp(NULL), xf(NULL), xold(NULL)
		{
		if (narg < 6) error->all(FLERR,"Illegal fix tmd command");

		@@ -54,8 +55,6 @@ FixTMD::FixTMD(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg)
		// perform initial allocation of atom-based arrays
		// register with Atom class

		xf = NULL;
		xold = NULL;
		grow_arrays(atom->nmax);
		atom->add_callback(0);

+5 −3

Original line number	Diff line number	Diff line
		@@ -37,7 +37,8 @@ enum{SCALAR,VECTOR};
		/* ---------------------------------------------------------------------- */

		FixVector::FixVector(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		nvalues(0), which(NULL), argindex(NULL), value2index(NULL), ids(NULL), vector(NULL), array(NULL)
		{
		if (narg < 5) error->all(FLERR,"Illegal fix vector command");

		@@ -294,7 +295,7 @@ void FixVector::end_of_step()

		// evaluate equal-style or vector-style variable

		} else if (which[i] == VARIABLE)
		} else if (which[i] == VARIABLE) {
		if (argindex[i] == 0)
		result[i] = input->variable->compute_equal(m);
		else {
		@@ -305,6 +306,7 @@ void FixVector::end_of_step()
		else result[i] = varvec[index-1];
		}
		}
		}

		// trigger computes on next needed step

+2 −1

Original line number	Diff line number	Diff line
		@@ -27,7 +27,8 @@ using namespace FixConst;
		/* ---------------------------------------------------------------------- */

		FixViscous::FixViscous(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		gamma(NULL)
		{
		if (narg < 4) error->all(FLERR,"Illegal fix viscous command");