ICODE-ADC/lammps
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Added Wlhat

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This commit is contained in:
Aidan Thompson
2019-08-25 12:06:25 -06:00
parent 8e1b3116a7
commit f8e3ea2839
2 changed files with 102 additions and 73 deletions
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5
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, wlflag;
int iqlcomp, qlcomp, qlcompflag, wlflag, wlhatflag;
int *qlist;
int nqlist;
@ -60,8 +60,7 @@ class ComputeOrientOrderAtom : public Compute {
static const double nfac_table[];
double factorial(int);
void init_clebsch_gordan();
double deltacg(int, int, int);
double *cglist;
double *cglist; // Clebsch-Gordan coeffs
int idxcg_max;
};