JDFTx  1.7.0
YlmInternal Namespace Reference

Functions

template<int lm>
__hostanddev__ double Ylm (double x, double y, double z)
 
 DECLARE_Ylm (-2, return 0.) DECLARE_Ylm(-1
 
return DECLARE_Ylm (0, return 0.28209479177387814) DECLARE_Ylm(1
 
return return *y DECLARE_Ylm (2, return 0.4886025119029199 *z) DECLARE_Ylm(3
 
return return *y return *x DECLARE_Ylm (4, return 1.0925484305920792 *x *y) DECLARE_Ylm(5
 
return return *y return *x return *y *z DECLARE_Ylm (6, return -0.31539156525252005 *(x *x+y *y - 2.*z *z)) DECLARE_Ylm(7
 
return return *y return *x return *y *z return *x *z DECLARE_Ylm (8, return 0.5462742152960396 *(x-y) *(x+y)) DECLARE_Ylm(9
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x DECLARE_Ylm (10, return 2.890611442640554 *x *y *z) DECLARE_Ylm(11
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z DECLARE_Ylm (12, return 0.3731763325901154 *z *(2.*z *z -3.*(x *x+y *y))) DECLARE_Ylm(13
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z DECLARE_Ylm (14, return 1.445305721320277 *(x-y) *(x+y) *z) DECLARE_Ylm(15
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y DECLARE_Ylm (16, return 2.5033429417967046 *x *y *(x-y) *(x+y)) DECLARE_Ylm(17
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x DECLARE_Ylm (18, return -0.9461746957575601 *x *y *(x *x+y *y - 6.*z *z)) DECLARE_Ylm(19
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z DECLARE_Ylm (20, X2Y2 Z2 return 0.03526184897173477 *(9.*x2y2 *(x2y2 - 8 *z2)+24.*z2 *z2)) DECLARE_Ylm(21
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z DECLARE_Ylm (22, X2 Y2 return -0.47308734787878004 *(x2 - y2) *(x2+y2 - 6.*z *z)) DECLARE_Ylm(23
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y DECLARE_Ylm (24, X2 Y2 return 0.6258357354491761 *(x2 *(x2 - 6.*y2)+y2 *y2)) DECLARE_Ylm(25
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 DECLARE_Ylm (26, return 8.302649259524166 *x *y *z *(x-y) *(x+y)) DECLARE_Ylm(27
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z DECLARE_Ylm (28, return -4.793536784973324 *x *y *z *(x *x+y *y - 2.*z *z)) DECLARE_Ylm(29
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z X2Y2 Z2 return *y *x2y2 *x2y2 *z2 *z2 *z2 DECLARE_Ylm (30, X2Y2 Z2 return 0.1169503224534236 *z *(15.*x2y2 *x2y2 - 8.*z2 *(5.*x2y2 - z2))) DECLARE_Ylm(31
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z X2Y2 Z2 return *y *x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *x2y2 *x2y2 *z2 *z2 *z2 DECLARE_Ylm (32, X2 Y2 return -2.396768392486662 *(x2-y2) *z *(x2+y2 - 2.*z *z)) DECLARE_Ylm(33
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z X2Y2 Z2 return *y *x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *x2y2 *x2y2 *z2 *z2 *z2 X2 Y2 return *x *x2 *y2 *x2 y2 *z *z DECLARE_Ylm (34, X2 Y2 return 2.0756623148810416 *z *(x2 *(x2 - 6.*y2)+y2 *y2)) DECLARE_Ylm(35
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z X2Y2 Z2 return *y *x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *x2y2 *x2y2 *z2 *z2 *z2 X2 Y2 return *x *x2 *y2 *x2 y2 *z *z X2 Y2 return *x *x2 *x2 *y2 *y2 *y2 DECLARE_Ylm (36, X2 Y2 return 1.3663682103838286 *x *y *(x2 *(3.*x2 - 10.*y2)+3.*y2 *y2)) DECLARE_Ylm(37
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z X2Y2 Z2 return *y *x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *x2y2 *x2y2 *z2 *z2 *z2 X2 Y2 return *x *x2 *y2 *x2 y2 *z *z X2 Y2 return *x *x2 *x2 *y2 *y2 *y2 X2 Y2 return *y *z **x2 *x2 *y2 y2 *y2 DECLARE_Ylm (38, X2 Y2 return -2.0182596029148967 *x *y *(x2 - y2) *(x2+y2 - 10.*z *z)) DECLARE_Ylm(39
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z X2Y2 Z2 return *y *x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *x2y2 *x2y2 *z2 *z2 *z2 X2 Y2 return *x *x2 *y2 *x2 y2 *z *z X2 Y2 return *x *x2 *x2 *y2 *y2 *y2 X2 Y2 return *y *z **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *z *y2 *x2 **x2 y2 *z *z DECLARE_Ylm (40, X2Y2 Z2 return 0.9212052595149236 *x *y *(x2y2 *(x2y2 - 16.*z2)+16.*z2 *z2)) DECLARE_Ylm(41
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z X2Y2 Z2 return *y *x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *x2y2 *x2y2 *z2 *z2 *z2 X2 Y2 return *x *x2 *y2 *x2 y2 *z *z X2 Y2 return *x *x2 *x2 *y2 *y2 *y2 X2 Y2 return *y *z **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *z *y2 *x2 **x2 y2 *z *z X2Y2 Z2 return *y *z **x2y2 *x2y2 *z2 *z2 *z2 DECLARE_Ylm (42, X2Y2 Z2 return 0.06356920226762842 *(5.*x2y2 *x2y2 *(18.*z2 - x2y2)+8.*z2 *z2 *(2.*z2 - 15.*x2y2))) DECLARE_Ylm(43
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z X2Y2 Z2 return *y *x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *x2y2 *x2y2 *z2 *z2 *z2 X2 Y2 return *x *x2 *y2 *x2 y2 *z *z X2 Y2 return *x *x2 *x2 *y2 *y2 *y2 X2 Y2 return *y *z **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *z *y2 *x2 **x2 y2 *z *z X2Y2 Z2 return *y *z **x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *z **x2y2 *x2y2 *z2 *z2 *z2 DECLARE_Ylm (44, X2Y2i Z2 return 0.4606026297574618 *(x2-y2) *(x2y2 *(x2y2 - 16.*z2)+16.*z2 *z2)) DECLARE_Ylm(45
 
return return *y return *x return *y *z return *x *z return *y *y *y *x *x return *y *x *x y *y *z *z return *x *x *x y *y *z *z return *x *x *x *y *y return *y *z *y *y *x *x return *y *z **x *x y *y *z *z return *x *z **x *x y *y *z *z return *x *z *x *x *y *y X2 Y2 return *y **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *y2 *x2 *x2 y2 *z *z X2Y2 Z2 return *y *x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *x2y2 *x2y2 *z2 *z2 *z2 X2 Y2 return *x *x2 *y2 *x2 y2 *z *z X2 Y2 return *x *x2 *x2 *y2 *y2 *y2 X2 Y2 return *y *z **x2 *x2 *y2 y2 *y2 X2 Y2 return *y *z *y2 *x2 **x2 y2 *z *z X2Y2 Z2 return *y *z **x2y2 *x2y2 *z2 *z2 *z2 X2Y2 Z2 return *x *z **x2y2 *x2y2 *z2 *z2 *z2 X2 Y2 return *x *z *x2 *y2 **x2 y2 *z *z DECLARE_Ylm (46, X2 Y2 return -0.5045649007287242 *(x2 *(x2 - 6.*y2)+y2 *y2) *(x2+y2 - 10.*z *z)) DECLARE_Ylm(47
 

Detailed Description

Auto-generated and hand-tweaked code for computing real spherical harmonics and their Clebsch-Gordon coefficients The external interface to these functions follows the end of this namespace block