Fix issue where direction correction in compute pair/local might not have been correct

2021-11-19 08:08:07 +01:00
parent 4b6090a8cb
commit 74577fa584
1 changed files with 1 additions and 1 deletions
--- a/src/compute_pair_local.cpp
+++ b/src/compute_pair_local.cpp
@ -268,7 +268,7 @@ int ComputePairLocal::compute_pairs(int flag)
        else ptr = alocal[m];

        // to make sure dx, dy and dz are always from the lower to the higher id
-        double directionCorrection = i > j ? -1.0 : 1.0;
+        double directionCorrection = itag > jtag ? -1.0 : 1.0;

        for (n = 0; n < nvalues; n++) {
          switch (pstyle[n]) {