Commit ae006669 authored by sjplimp's avatar sjplimp Committed by GitHub
Browse files

Merge pull request #265 from andeplane/IP_DIFF_DPD 

Initializing pointers in USER-DIFFRACTION and USER-DPD
parents 51b3b5fb 616420cd

src/USER-DIFFRACTION/compute_saed.cpp

+1 −1
Original line number Diff line number Diff line
@@ -49,7 +49,7 @@ static const char cite_compute_saed_c[] = 
/* ---------------------------------------------------------------------- */



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

  Compute(lmp, narg, arg)

  Compute(lmp, narg, arg), ztype(NULL), store_tmp(NULL)

{

  if (lmp->citeme) lmp->citeme->add(cite_compute_saed_c);

src/USER-DIFFRACTION/compute_xrd.cpp

+1 −1
Original line number Diff line number Diff line
@@ -50,7 +50,7 @@ static const char cite_compute_xrd_c[] = 
/* ---------------------------------------------------------------------- */



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

  Compute(lmp, narg, arg)

  Compute(lmp, narg, arg), ztype(NULL), store_tmp(NULL)

{

  if (lmp->citeme) lmp->citeme->add(cite_compute_xrd_c);

src/USER-DIFFRACTION/fix_saed_vtk.cpp

+2 −1
Original line number Diff line number Diff line
@@ -44,7 +44,8 @@ enum{FIRST,MULTI}; 
/* ---------------------------------------------------------------------- */



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

  Fix(lmp, narg, arg)

  Fix(lmp, narg, arg), ids(NULL), fp(NULL), vector(NULL), 

  vector_total(NULL), vector_list(NULL), compute_saed(NULL), filename(NULL)

{

  if (narg < 7) error->all(FLERR,"Illegal fix saed/vtk command");

src/USER-DPD/compute_dpd_atom.cpp

+2 −3
Original line number Diff line number Diff line
@@ -35,7 +35,7 @@ using namespace LAMMPS_NS; 
/* ---------------------------------------------------------------------- */



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

  Compute(lmp, narg, arg)

  Compute(lmp, narg, arg), dpdAtom(NULL)

{

  if (narg != 3) error->all(FLERR,"Illegal compute dpd/atom command");
@@ -43,7 +43,6 @@ ComputeDpdAtom::ComputeDpdAtom(LAMMPS *lmp, int narg, char **arg) : 
  size_peratom_cols = 4;



  nmax = 0;

  dpdAtom = NULL;

  

  if (atom->dpd_flag != 1) error->all(FLERR,"compute dpd requires atom_style with internal temperature and energies (e.g. dpd)");

}

src/USER-DPD/fix_eos_table.cpp

+1 −1
Original line number Diff line number Diff line
@@ -31,7 +31,7 @@ using namespace FixConst; 
/* ---------------------------------------------------------------------- */



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

  Fix(lmp, narg, arg)

  Fix(lmp, narg, arg), ntables(0), tables(NULL)

{

  if (narg != 7) error->all(FLERR,"Illegal fix eos/table command");

  restart_peratom = 1;

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