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Fixed initialization of arrays in computes

This commit is contained in:
Anders Hafreager 2016-08-24 16:50:11 +02:00 committed by Axel Kohlmeyer
parent fcd54f02e6
commit 5e811f16e8
6 changed files with 14 additions and 14 deletions
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5
src/compute_property_atom.cpp
View File

@ -32,7 +32,8 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
index(NULL), vector(NULL), array(NULL), pack_choice(NULL)
{
if (narg < 4) error->all(FLERR,"Illegal compute property/atom command");
@ -352,8 +353,6 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) :
}
nmax = 0;
vector = NULL;
array = NULL;
}
/* ---------------------------------------------------------------------- */

6
src/compute_property_chunk.cpp
View File

@ -25,7 +25,8 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
ComputePropertyChunk::ComputePropertyChunk(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
idchunk(NULL), count_one(NULL), count_all(NULL)
{
if (narg < 5) error->all(FLERR,"Illegal compute property/chunk command");
@ -78,9 +79,6 @@ ComputePropertyChunk::ComputePropertyChunk(LAMMPS *lmp, int narg, char **arg) :
nchunk = 1;
maxchunk = 0;
vector = NULL;
array = NULL;
count_one = count_all = NULL;
allocate();
if (nvalues == 1) {

6
src/compute_property_local.cpp
View File

@ -34,7 +34,8 @@ enum{TYPE,RADIUS};
/* ---------------------------------------------------------------------- */
ComputePropertyLocal::ComputePropertyLocal(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
vector(NULL), array(NULL), indices(NULL), pack_choice(NULL)
{
if (narg < 4) error->all(FLERR,"Illegal compute property/local command");
@ -253,9 +254,6 @@ ComputePropertyLocal::ComputePropertyLocal(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Compute property/local requires atom attribute radius");
nmax = 0;
vector = NULL;
array = NULL;
indices = NULL;
}
/* ---------------------------------------------------------------------- */

4
src/compute_rdf.cpp
View File

@ -38,7 +38,9 @@ using namespace MathConst;
/* ---------------------------------------------------------------------- */
ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
rdfpair(NULL), nrdfpair(NULL), ilo(NULL), ihi(NULL), jlo(NULL), jhi(NULL),
hist(NULL), histall(NULL), typecount(NULL), icount(NULL), jcount(NULL), duplicates(NULL)
{
if (narg < 4 || (narg-4) % 2) error->all(FLERR,"Illegal compute rdf command");

4
src/compute_reduce.cpp
View File

@ -43,7 +43,9 @@ enum{PERATOM,LOCAL};
/* ---------------------------------------------------------------------- */
ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
nvalues(0), which(NULL), argindex(NULL), flavor(NULL), value2index(NULL), ids(NULL),
onevec(NULL), replace(NULL), indices(NULL), owner(NULL), idregion(NULL), varatom(NULL)
{
int iarg = 0;
if (strcmp(style,"reduce") == 0) {

3
src/compute_slice.cpp
View File

@ -34,7 +34,8 @@ enum{COMPUTE,FIX,VARIABLE};
/* ---------------------------------------------------------------------- */
ComputeSlice::ComputeSlice(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
nvalues(0), which(NULL), argindex(NULL), value2index(NULL), ids(NULL)
{
if (narg < 7) error->all(FLERR,"Illegal compute slice command");