From a24eccf95d0abd036823ff5bbe45839ca9d8a907 Mon Sep 17 00:00:00 2001
From: Trung Nguyen <ndactrung@gmail.com>
Date: Fri, 11 Aug 2023 09:43:28 -0500
Subject: [PATCH] Removed maxatom from fix spring/self, need to work on
 exchange for xoriginal on spring/self/kk

---
 src/KOKKOS/fix_spring_self_kokkos.cpp | 12 +-----------
 src/fix_spring_self.cpp               |  3 ++-
 src/fix_spring_self.h                 |  1 -
 3 files changed, 3 insertions(+), 13 deletions(-)

diff --git a/src/KOKKOS/fix_spring_self_kokkos.cpp b/src/KOKKOS/fix_spring_self_kokkos.cpp
index fe6d3a3d50..5031c0641b 100644
--- a/src/KOKKOS/fix_spring_self_kokkos.cpp
+++ b/src/KOKKOS/fix_spring_self_kokkos.cpp
@@ -43,9 +43,8 @@ FixSpringSelfKokkos<DeviceType>::FixSpringSelfKokkos(LAMMPS *lmp, int narg, char
   datamask_read = EMPTY_MASK;
   datamask_modify = EMPTY_MASK;
 
-  maxatom = atom->nmax;
   memory->destroy(xoriginal);
-  memoryKK->create_kokkos(k_xoriginal,xoriginal,maxatom,3,"spring/self:xoriginal");
+  memoryKK->create_kokkos(k_xoriginal,xoriginal,atom->nmax,3,"spring/self:xoriginal");
   d_xoriginal = k_xoriginal.view<DeviceType>();
 }
 
@@ -85,15 +84,6 @@ void FixSpringSelfKokkos<DeviceType>::post_force(int /*vflag*/)
 
   int nlocal = atom->nlocal;
 
-  // reallocate xoriginal array if necessary
-
-  if (atom->nmax > maxatom) {
-    maxatom = atom->nmax;
-    memoryKK->destroy_kokkos(k_xoriginal,xoriginal);
-    memoryKK->create_kokkos(k_xoriginal,xoriginal,maxatom,3,"fix_spring/self:xoriginal");
-    d_xoriginal = k_xoriginal.view<DeviceType>();
-  }
-
   double espring_kk;
 
 
diff --git a/src/fix_spring_self.cpp b/src/fix_spring_self.cpp
index 31f54caef2..df00a2ba8c 100644
--- a/src/fix_spring_self.cpp
+++ b/src/fix_spring_self.cpp
@@ -73,7 +73,6 @@ FixSpringSelf::FixSpringSelf(LAMMPS *lmp, int narg, char **arg) :
   // register with Atom class
 
   xoriginal = nullptr;
-  maxatom = atom->nmax;
   FixSpringSelf::grow_arrays(atom->nmax);
   atom->add_callback(Atom::GROW);
   atom->add_callback(Atom::RESTART);
@@ -97,6 +96,8 @@ FixSpringSelf::FixSpringSelf(LAMMPS *lmp, int narg, char **arg) :
 
 FixSpringSelf::~FixSpringSelf()
 {
+  if (copymode) return;
+
   // unregister callbacks to this fix from Atom class
 
   atom->delete_callback(id,Atom::GROW);
diff --git a/src/fix_spring_self.h b/src/fix_spring_self.h
index 24a03aa92e..f13f2be918 100644
--- a/src/fix_spring_self.h
+++ b/src/fix_spring_self.h
@@ -52,7 +52,6 @@ class FixSpringSelf : public Fix {
   double **xoriginal;    // original coords of atoms
   int xflag, yflag, zflag;
   int ilevel_respa;
-  int maxatom;
 };
 
 }    // namespace LAMMPS_NS