replace string compare with enums, fix memory leak, formatting cleanup

2017-01-10 12:52:37 -05:00
parent 95706ac846
commit 92d15d4a89
4 changed files with 145 additions and 137 deletions
--- a/src/compute_orientorder_atom.h
+++ b/src/compute_orientorder_atom.h
@ -49,7 +49,7 @@ class ComputeOrientOrderAtom : public Compute {
  double **qnm_i;

  void select3(int, int, double *, int *, double **);
-  void calc_boop(double **rlist, int numNeighbors, 
+  void calc_boop(double **rlist, int numNeighbors,
 		 double qn[], int nlist[], int nnlist);
  double dist(const double r[]);