Commit 176f2c3a authored by sjplimp's avatar sjplimp Committed by GitHub
Browse files

Merge pull request #263 from andeplane/IP_RIGID_SHOCK 

Initialize pointers in RIGID and SHOCK
parents 3f71bfb1 7cd7cda2

src/RIGID/compute_erotate_rigid.cpp

+1 −1
Original line number Original line Diff line number Diff line
@@ -27,7 +27,7 @@ using namespace LAMMPS_NS; 
/* ---------------------------------------------------------------------- */

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





ComputeERotateRigid::ComputeERotateRigid(LAMMPS *lmp, int narg, char **arg) :

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");

  if (narg != 4) error->all(FLERR,"Illegal compute erotate/rigid command");

src/RIGID/compute_ke_rigid.cpp

+1 −1
Original line number Original line Diff line number Diff line
@@ -27,7 +27,7 @@ using namespace LAMMPS_NS; 
/* ---------------------------------------------------------------------- */

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





ComputeKERigid::ComputeKERigid(LAMMPS *lmp, int narg, char **arg) :

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");

  if (narg != 4) error->all(FLERR,"Illegal compute ke/rigid command");

src/RIGID/compute_rigid_local.cpp

+1 −2
Original line number Original line 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) :

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");

  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;

  ncount = nmax = 0;

  vector = NULL;

  vector = NULL;

  array = NULL;

  array = NULL;

  fixrigid = NULL;

}

}





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

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

src/RIGID/fix_ehex.cpp

+4 −3
Original line number Original line 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);

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

  // optional args





  iregion = -1;

  iregion = -1;

  idregion = NULL;

  

  

  // NOTE: constraints are deactivated by default

  // NOTE: constraints are deactivated by default

src/RIGID/fix_rigid.cpp

+10 −1
Original line number Original line Diff line number Diff line
@@ -56,7 +56,16 @@ enum{ISO,ANISO,TRICLINIC}; 
/* ---------------------------------------------------------------------- */

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





FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :

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;

  int i,ibody;

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