Merge pull request #4108 from MightyHelper/develop

Allow compute spin for groups other than `all`
2024-03-30 09:12:43 -04:00
parent b79bccec6c 0b5722adc0
commit a017a775bd
1 changed files with 1 additions and 2 deletions
--- a/src/SPIN/compute_spin.cpp
+++ b/src/SPIN/compute_spin.cpp
@ -215,9 +215,8 @@ void ComputeSpin::compute_vector()
        tempnum += tx*tx+ty*ty+tz*tz;
        tempdenom += sp[i][0]*fm[i][0]+fm[i][1]*sp[i][1]+sp[i][2]*fm[i][2];
        countsp++;
-      }
+      } else error->all(FLERR,"Compute compute/spin requires atom/spin style");
    }
-    else error->all(FLERR,"Compute compute/spin requires atom/spin style");
  }

  MPI_Allreduce(mag,magtot,4,MPI_DOUBLE,MPI_SUM,world);