Precompute some sqrt factors

2021-10-15 11:53:54 -06:00
parent 23cd143aae
commit d97e55d54a
4 changed files with 39 additions and 20 deletions
--- a/src/compute_orientorder_atom.h
+++ b/src/compute_orientorder_atom.h
@ -36,6 +36,7 @@ class ComputeOrientOrderAtom : public Compute {
  int iqlcomp, qlcomp, qlcompflag, wlflag, wlhatflag;
  int *qlist;
  int nqlist;
+  double *qnormfac,*qnormfac2;

 protected:
  int nmax, maxneigh, ncol, nnn;