Commit 0bb0d6f2 authored by Sievers's avatar Sievers
Browse files

Fix snap.cpp to not force more coeff if multielement and not alloy_flag

parent deb45f4b

src/SNAP/sna.cpp

+4 −1
Original line number Diff line number Diff line
@@ -1739,7 +1739,10 @@ void SNA::compute_ncoeff() 


  ndoubles = nelements*nelements;

  ntriples = nelements*nelements*nelements;

  if (alloy_flag)

    ncoeff = ncount*ntriples;

  else

    ncoeff = ncount;

}



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