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

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This commit is contained in:
Axel Kohlmeyer
2017-01-10 12:52:37 -05:00
parent 95706ac846
commit 92d15d4a89
4 changed files with 145 additions and 137 deletions
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5
src/compute_coord_atom.h
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@ -34,6 +34,7 @@ class ComputeCoordAtom : public Compute {
int pack_forward_comm(int, int *, double *, int, int *);
void unpack_forward_comm(int, int, double *);
double memory_usage();
enum {NONE,CUTOFF,ORIENT};
private:
int nmax,ncol;
@ -45,10 +46,10 @@ class ComputeCoordAtom : public Compute {
double **carray;
class ComputeOrientOrderAtom *c_orientorder;
char *cstyle,*id_orientorder;
char *id_orientorder;
double threshold;
double **normv;
int nqlist,l;
int cstyle,nqlist,l;
};
}