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Allow compute spin for groups other than all

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This commit is contained in:
Federico Williamson - WGPC5
2024-03-21 14:33:01 -03:00
committed by Axel Kohlmeyer
parent 6243735af4
commit 6e32b0cada
1 changed files with 1 additions and 2 deletions
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3
src/SPIN/compute_spin.cpp
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@ -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);