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Fixed initialization of arrays in computes

This commit is contained in:
Anders Hafreager 2016-08-24 16:38:30 +02:00 committed by Axel Kohlmeyer
parent 1f3ef8e0ee
commit fcd54f02e6
5 changed files with 10 additions and 14 deletions
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9
src/compute_orientorder_atom.cpp
View File

@ -45,7 +45,8 @@ using namespace std;
/* ---------------------------------------------------------------------- */
ComputeOrientOrderAtom::ComputeOrientOrderAtom(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
distsq(NULL), nearest(NULL), rlist(NULL), qlist(NULL), qnarray(NULL), qnm_r(NULL), qnm_i(NULL)
{
if (narg < 3 ) error->all(FLERR,"Illegal compute orientorder/atom command");
@ -109,13 +110,7 @@ ComputeOrientOrderAtom::ComputeOrientOrderAtom(LAMMPS *lmp, int narg, char **arg
size_peratom_cols = ncol;
nmax = 0;
qnarray = NULL;
maxneigh = 0;
distsq = NULL;
nearest = NULL;
rlist = NULL;
qnm_r = NULL;
qnm_i = NULL;
}
/* ---------------------------------------------------------------------- */

3
src/compute_pair.cpp
View File

@ -26,7 +26,8 @@ enum{EPAIR,EVDWL,ECOUL};
/* ---------------------------------------------------------------------- */
ComputePair::ComputePair(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
pstyle(NULL), pair(NULL), one(NULL)
{
if (narg < 4 || narg > 5) error->all(FLERR,"Illegal compute pair command");

5
src/compute_pair_local.cpp
View File

@ -36,7 +36,8 @@ enum{TYPE,RADIUS};
/* ---------------------------------------------------------------------- */
ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
pstyle(NULL), pindex(NULL), vector(NULL), array(NULL)
{
if (narg < 4) error->all(FLERR,"Illegal compute pair/local command");
@ -96,8 +97,6 @@ ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) :
if (pstyle[i] != DIST) singleflag = 1;
nmax = 0;
vector = NULL;
array = NULL;
}
/* ---------------------------------------------------------------------- */

4
src/compute_pe_atom.cpp
View File

@ -33,7 +33,8 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
ComputePEAtom::ComputePEAtom(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
energy(NULL)
{
if (narg < 3) error->all(FLERR,"Illegal compute pe/atom command");
@ -68,7 +69,6 @@ ComputePEAtom::ComputePEAtom(LAMMPS *lmp, int narg, char **arg) :
}
nmax = 0;
energy = NULL;
}
/* ---------------------------------------------------------------------- */

3
src/compute_pressure.cpp
View File

@ -34,7 +34,8 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
vptr(NULL), id_temp(NULL)
{
if (narg < 4) error->all(FLERR,"Illegal compute pressure command");
if (igroup) error->all(FLERR,"Compute pressure must use group all");