From dcf521be53a00542c4e06b17c4114574b245a76e Mon Sep 17 00:00:00 2001
From: LOFT <loft@loftadmins-air.home>
Date: Fri, 29 Oct 2021 06:34:32 -0600
Subject: [PATCH] Fixed a few more problems, but still no joy

---
 src/ML-SNAP/pair_sna_grid.cpp | 3 ++-
 src/ML-SNAP/pair_sna_grid.h   | 3 ---
 src/pair_grid.cpp             | 6 +++---
 3 files changed, 5 insertions(+), 7 deletions(-)

diff --git a/src/ML-SNAP/pair_sna_grid.cpp b/src/ML-SNAP/pair_sna_grid.cpp
index 7e626edd1a..dc3de8e941 100644
--- a/src/ML-SNAP/pair_sna_grid.cpp
+++ b/src/ML-SNAP/pair_sna_grid.cpp
@@ -34,9 +34,10 @@
 using namespace LAMMPS_NS;
 
 PairSNAGrid::PairSNAGrid(LAMMPS *lmp) :
-  PairGrid(lmp), cutsq(nullptr),
+  PairGrid(lmp),
   radelem(nullptr), wjelem(nullptr)
 {
+  snaptr = nullptr;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/ML-SNAP/pair_sna_grid.h b/src/ML-SNAP/pair_sna_grid.h
index 929d6db975..9ae0eece79 100644
--- a/src/ML-SNAP/pair_sna_grid.h
+++ b/src/ML-SNAP/pair_sna_grid.h
@@ -37,13 +37,10 @@ class PairSNAGrid : public PairGrid {
 
  private:
   int ncoeff;
-  double **cutsq;
   class NeighList *list;
   double rcutfac;
   double *radelem;
   double *wjelem;
-  int *map;    // map types to [0,nelements)
-  int nelements;
   class SNA *snaptr;
   int quadraticflag;
   int twojmax, switchflag, bzeroflag, bnormflag;
diff --git a/src/pair_grid.cpp b/src/pair_grid.cpp
index b552b509e5..dd35f75f8c 100644
--- a/src/pair_grid.cpp
+++ b/src/pair_grid.cpp
@@ -36,7 +36,6 @@ PairGrid::PairGrid(LAMMPS *lmp) :
   manybody_flag = 1;
   centroidstressflag = CENTROID_NOTAVAIL;
 
-
   ndesc = 0;
   ngridlocal = 0;
 
@@ -62,7 +61,7 @@ PairGrid::~PairGrid()
 void PairGrid::setup()
 {
   printf("Hello, world! C\n");  
-  deallocate_grid();
+  //  deallocate_grid();
   printf("Hello, world! D\n");  
   set_grid_global();
   printf("Hello, world! E\n");  
@@ -70,7 +69,7 @@ void PairGrid::setup()
   printf("Hello, world! F\n");  
   allocate_grid();
   printf("Hello, world! G\n");  
-  assign_coords();
+  //  assign_coords();
   printf("Hello, world! H\n");  
 }
 
@@ -273,6 +272,7 @@ void PairGrid::allocate()
 
   memory->create(cutsq,n+1,n+1,"pair:cutsq");
   map = new int[n+1];
+  printf("Allocated!\n");
 }
 
 /* ----------------------------------------------------------------------