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Added Clebsch-Gordan coefficients

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This commit is contained in:
Aidan Thompson
2019-08-23 22:29:41 -06:00
parent aa9b805cc9
commit 8e1b3116a7
2 changed files with 337 additions and 30 deletions
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10
src/compute_orientorder_atom.h
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@ -33,7 +33,7 @@ class ComputeOrientOrderAtom : public Compute {
void compute_peratom();
double memory_usage();
double cutsq;
int iqlcomp, qlcomp, qlcompflag;
int iqlcomp, qlcomp, qlcompflag, wlflag;
int *qlist;
int nqlist;
@ -55,6 +55,14 @@ class ComputeOrientOrderAtom : public Compute {
double polar_prefactor(int, int, double);
double associated_legendre(int, int, double);
static const int nmaxfactorial = 167;
static const double nfac_table[];
double factorial(int);
void init_clebsch_gordan();
double deltacg(int, int, int);
double *cglist;
int idxcg_max;
};
}