From f89a0f9fe35a0a5567981f7a7de0f796ce61d38f Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 26 Aug 2020 11:50:20 -0400
Subject: [PATCH] must not try to delete computes if they have not been created
 and their ids not yet set

---
 src/reset_mol_ids.cpp | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/src/reset_mol_ids.cpp b/src/reset_mol_ids.cpp
index 7ce027a657..a6cfb69185 100644
--- a/src/reset_mol_ids.cpp
+++ b/src/reset_mol_ids.cpp
@@ -41,14 +41,17 @@ ResetMolIDs::ResetMolIDs(LAMMPS *lmp) : Pointers(lmp) {
   compressflag = 1;
   singleflag = 0;
   offset = -1;
+
+  idfrag.clear();
+  idchunk.clear();
 }
 
 /* ---------------------------------------------------------------------- */
 
 ResetMolIDs::~ResetMolIDs()
 {
-  modify->delete_compute(idfrag);
-  if (compressflag) modify->delete_compute(idchunk);
+  if (!idfrag.empty()) modify->delete_compute(idfrag);
+  if (compressflag && !idchunk.empty()) modify->delete_compute(idchunk);
 }
 
 /* ----------------------------------------------------------------------