From 79cc64766b38ce4889447281f2e9f9d1b426b296 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 23 Jun 2024 03:55:10 -0400
Subject: [PATCH] initialize all pointers to null, reorder to match definition

---
 src/ML-POD/compute_pod_atom.cpp   |  6 +++---
 src/ML-POD/compute_pod_global.cpp |  6 ++++--
 src/ML-POD/compute_pod_local.cpp  |  6 ++++--
 src/ML-POD/compute_podd_atom.cpp  |  7 ++++---
 src/ML-POD/eapod.cpp              | 18 +++++++-----------
 5 files changed, 22 insertions(+), 21 deletions(-)

diff --git a/src/ML-POD/compute_pod_atom.cpp b/src/ML-POD/compute_pod_atom.cpp
index d9f486ea43..68ce84d529 100644
--- a/src/ML-POD/compute_pod_atom.cpp
+++ b/src/ML-POD/compute_pod_atom.cpp
@@ -31,12 +31,12 @@
 
 using namespace LAMMPS_NS;
 
-enum{SCALAR,VECTOR,ARRAY};
+enum { SCALAR, VECTOR, ARRAY };
 
 ComputePODAtom::ComputePODAtom(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg), list(nullptr), map(nullptr), pod(nullptr), elements(nullptr)
+    Compute(lmp, narg, arg), list(nullptr), podptr(nullptr), pod(nullptr), tmpmem(nullptr),
+    rij(nullptr), elements(nullptr), map(nullptr)
 {
-
   int nargmin = 6;
 
   if (narg < nargmin) error->all(FLERR, "Illegal compute {} command", style);
diff --git a/src/ML-POD/compute_pod_global.cpp b/src/ML-POD/compute_pod_global.cpp
index d1e09916b5..7984e1c363 100644
--- a/src/ML-POD/compute_pod_global.cpp
+++ b/src/ML-POD/compute_pod_global.cpp
@@ -31,10 +31,12 @@
 
 using namespace LAMMPS_NS;
 
-enum{SCALAR,VECTOR,ARRAY};
+enum { SCALAR, VECTOR, ARRAY };
 
 ComputePODGlobal::ComputePODGlobal(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg), list(nullptr), map(nullptr), pod(nullptr), elements(nullptr)
+    Compute(lmp, narg, arg), list(nullptr), podptr(nullptr), pod(nullptr), tmpmem(nullptr),
+    rij(nullptr), elements(nullptr), map(nullptr), ai(nullptr), aj(nullptr), ti(nullptr),
+    tj(nullptr)
 {
   array_flag = 1;
   extarray = 0;
diff --git a/src/ML-POD/compute_pod_local.cpp b/src/ML-POD/compute_pod_local.cpp
index 44c3f65756..90babad8d1 100644
--- a/src/ML-POD/compute_pod_local.cpp
+++ b/src/ML-POD/compute_pod_local.cpp
@@ -31,10 +31,12 @@
 
 using namespace LAMMPS_NS;
 
-enum{SCALAR,VECTOR,ARRAY};
+enum { SCALAR, VECTOR, ARRAY };
 
 ComputePODLocal::ComputePODLocal(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg), list(nullptr), map(nullptr), pod(nullptr), elements(nullptr)
+    Compute(lmp, narg, arg), list(nullptr), podptr(nullptr), pod(nullptr), tmpmem(nullptr),
+    rij(nullptr), elements(nullptr), map(nullptr), ai(nullptr), aj(nullptr), ti(nullptr),
+    tj(nullptr)
 {
   array_flag = 1;
   extarray = 0;
diff --git a/src/ML-POD/compute_podd_atom.cpp b/src/ML-POD/compute_podd_atom.cpp
index 6987f367a9..9ef5307bfa 100644
--- a/src/ML-POD/compute_podd_atom.cpp
+++ b/src/ML-POD/compute_podd_atom.cpp
@@ -31,12 +31,13 @@
 
 using namespace LAMMPS_NS;
 
-enum{SCALAR,VECTOR,ARRAY};
+enum { SCALAR, VECTOR, ARRAY };
 
 ComputePODDAtom::ComputePODDAtom(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg), list(nullptr), map(nullptr), pod(nullptr), elements(nullptr)
+    Compute(lmp, narg, arg), list(nullptr), podptr(nullptr), pod(nullptr), tmpmem(nullptr),
+    rij(nullptr), elements(nullptr), map(nullptr), ai(nullptr), aj(nullptr), ti(nullptr),
+    tj(nullptr)
 {
-
   int nargmin = 6;
 
   if (narg < nargmin) error->all(FLERR, "Illegal compute {} command", style);
diff --git a/src/ML-POD/eapod.cpp b/src/ML-POD/eapod.cpp
index 2777d418eb..f17e7c12c0 100644
--- a/src/ML-POD/eapod.cpp
+++ b/src/ML-POD/eapod.cpp
@@ -1,3 +1,4 @@
+// clang-format off
 /* ----------------------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    https://www.lammps.org/ Sandia National Laboratories
@@ -38,18 +39,13 @@ using MathSpecial::powint;
 
 // constructor
 EAPOD::EAPOD(LAMMPS *_lmp, const std::string &pod_file, const std::string &coeff_file) :
-        Pointers(_lmp), elemindex(nullptr), Phi(nullptr), Lambda(nullptr), Proj(nullptr),
-        Centroids(nullptr),  bd(nullptr), bdd(nullptr), pd(nullptr), pdd(nullptr), coeff(nullptr), tmpmem(nullptr), tmpint(nullptr),
-        pn3(nullptr), pq3(nullptr), pc3(nullptr), pq4(nullptr), pa4(nullptr), pb4(nullptr), pc4(nullptr),
-        ind23(nullptr), ind32(nullptr), ind33(nullptr), ind34(nullptr), ind43(nullptr), ind44(nullptr)
+    Pointers(_lmp), elemindex(nullptr), Phi(nullptr), Lambda(nullptr), coeff(nullptr),
+    tmpmem(nullptr), Proj(nullptr), Centroids(nullptr), bd(nullptr), bdd(nullptr), pd(nullptr),
+    pdd(nullptr), pn3(nullptr), pq3(nullptr), pc3(nullptr), pq4(nullptr), pa4(nullptr),
+    pb4(nullptr), pc4(nullptr), tmpint(nullptr), ind23(nullptr), ind32(nullptr), ind33(nullptr),
+    ind34(nullptr), ind43(nullptr), ind44(nullptr), ind33l(nullptr), ind33r(nullptr),
+    ind34l(nullptr), ind34r(nullptr), ind44l(nullptr), ind44r(nullptr)
 {
-  ind33l = nullptr;
-  ind33r = nullptr;
-  ind34l = nullptr;
-  ind34r = nullptr;
-  ind44l = nullptr;
-  ind44r = nullptr;
-
   rin = 0.5;
   rcut = 5.0;
   nClusters = 1;