From fcd54f02e6b73c2030bea9dbbb34b58ea3d3a161 Mon Sep 17 00:00:00 2001
From: Anders Hafreager <andershaf@gmail.com>
Date: Wed, 24 Aug 2016 16:38:30 +0200
Subject: [PATCH] Fixed initialization of arrays in computes
---
src/compute_orientorder_atom.cpp | 9 ++-------
src/compute_pair.cpp | 3 ++-
src/compute_pair_local.cpp | 5 ++---
src/compute_pe_atom.cpp | 4 ++--
src/compute_pressure.cpp | 3 ++-
5 files changed, 10 insertions(+), 14 deletions(-)
diff --git a/src/compute_orientorder_atom.cpp b/src/compute_orientorder_atom.cpp
index fd3493cd7e..6c5a2c0c0e 100644
--- a/src/compute_orientorder_atom.cpp
+++ b/src/compute_orientorder_atom.cpp
@@ -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;
}
/* ---------------------------------------------------------------------- */
diff --git a/src/compute_pair.cpp b/src/compute_pair.cpp
index 62661b43e6..b00944e1bc 100644
--- a/src/compute_pair.cpp
+++ b/src/compute_pair.cpp
@@ -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");
diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp
index 13dccc5787..6ba4b75728 100644
--- a/src/compute_pair_local.cpp
+++ b/src/compute_pair_local.cpp
@@ -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;
}
/* ---------------------------------------------------------------------- */
diff --git a/src/compute_pe_atom.cpp b/src/compute_pe_atom.cpp
index c04edb09f5..f83c91b94c 100755
--- a/src/compute_pe_atom.cpp
+++ b/src/compute_pe_atom.cpp
@@ -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;
}
/* ---------------------------------------------------------------------- */
diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp
index ca493e46fd..fde19a277a 100644
--- a/src/compute_pressure.cpp
+++ b/src/compute_pressure.cpp
@@ -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");
--
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