Initialize pointers in RIGID and SHOCK (7cd7cda2) · Commits · 郑智淋 / lammps

src/RIGID/compute_erotate_rigid.cpp

+1 −1

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

		ComputeERotateRigid::ComputeERotateRigid(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg), rfix(NULL)
		{
		if (narg != 4) error->all(FLERR,"Illegal compute erotate/rigid command");

+1 −1

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

		ComputeKERigid::ComputeKERigid(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg), rfix(NULL)
		{
		if (narg != 4) error->all(FLERR,"Illegal compute ke/rigid command");

+1 −2

Original line number	Diff line number	Diff line
		@@ -33,7 +33,7 @@ enum{ID,MOL,MASS,X,Y,Z,XU,YU,ZU,VX,VY,VZ,FX,FY,FZ,IX,IY,IZ,
		/* ---------------------------------------------------------------------- */

		ComputeRigidLocal::ComputeRigidLocal(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg), rstyle(NULL), idrigid(NULL), fixrigid(NULL)
		{
		if (narg < 5) error->all(FLERR,"Illegal compute rigid/local command");

		@@ -90,7 +90,6 @@ ComputeRigidLocal::ComputeRigidLocal(LAMMPS lmp, int narg, char *arg) :
		ncount = nmax = 0;
		vector = NULL;
		array = NULL;
		fixrigid = NULL;
		}

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

+4 −3

Original line number	Diff line number	Diff line
		@@ -49,7 +49,9 @@ enum{CONSTANT,EQUAL,ATOM};

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

		FixEHEX::FixEHEX(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg)
		FixEHEX::FixEHEX(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg),
		idregion(NULL), x(NULL), f(NULL), v(NULL),
		mass(NULL), rmass(NULL), type(NULL), scalingmask(NULL)
		{
		MPI_Comm_rank(world, &me);

		@@ -73,7 +75,6 @@ FixEHEX::FixEHEX(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg)
		// optional args

		iregion = -1;
		idregion = NULL;

		// NOTE: constraints are deactivated by default

+10 −1

Original line number	Diff line number	Diff line
		@@ -56,7 +56,16 @@ enum{ISO,ANISO,TRICLINIC};
		/* ---------------------------------------------------------------------- */

		FixRigid::FixRigid(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg), step_respa(NULL),
		infile(NULL), nrigid(NULL), mol2body(NULL), body2mol(NULL),
		body(NULL), displace(NULL), masstotal(NULL), xcm(NULL),
		vcm(NULL), fcm(NULL), inertia(NULL), ex_space(NULL),
		ey_space(NULL), ez_space(NULL), angmom(NULL), omega(NULL),
		torque(NULL), quat(NULL), imagebody(NULL), fflag(NULL),
		tflag(NULL), langextra(NULL), sum(NULL), all(NULL),
		remapflag(NULL), xcmimage(NULL), eflags(NULL), orient(NULL),
		dorient(NULL), id_dilate(NULL), random(NULL), avec_ellipsoid(NULL),
		avec_line(NULL), avec_tri(NULL)
		{
		int i,ibody;