BUGFIX: bad array length: initialize maximum number of neighbours with max_jnum=0

2022-05-25 17:27:12 +02:00
parent 8ffe2a206c
commit f6680861a0
1 changed files with 1 additions and 1 deletions
--- a/src/ML-PACE/pair_pace.cpp
+++ b/src/ML-PACE/pair_pace.cpp
@ -155,7 +155,7 @@ void PairPACE::compute(int eflag, int vflag)
  //       they are disregarded anyway

  //determine the maximum number of neighbours
-  int max_jnum = -1;
+  int max_jnum = 0;
  int nei = 0;
  for (ii = 0; ii < list->inum; ii++) {
    i = ilist[ii];