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Last change
on this file since 70bf68c was
cabe74b,
checked in by Jae Cho <jhjcho@…>, 16 years ago
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Added 2nd virial coeff. functions
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-
Property mode set to
100644
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File size:
1.3 KB
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Rev | Line | |
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[cabe74b] | 1 | #if !defined(DiamEllip_h) |
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| 2 | #define DiamEllip_h |
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| 3 | |
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| 4 | /** |
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| 5 | * To calculate the 2nd virial coefficient |
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| 6 | * [PYTHONCLASS] = DiamEllipFunc |
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| 7 | * [DISP_PARAMS] = radius_a, radius_b |
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| 8 | [DESCRIPTION] =<text>To calculate the 2nd virial coefficient for |
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| 9 | the non-spherical object, then find the |
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| 10 | radius of sphere that has this value of |
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| 11 | virial coefficient: |
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| 12 | radius_a = polar radius, |
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| 13 | radius_b = equatorial radius; |
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| 14 | radius_a > radius_b: Prolate spheroid, |
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| 15 | radius_a < radius_b: Oblate spheroid. |
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| 16 | </text> |
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| 17 | [FIXED]= <text> |
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| 18 | radius_a.width;radius_b.width |
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| 19 | </text> |
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| 20 | |
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| 21 | **/ |
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| 22 | typedef struct { |
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| 23 | /// Polar radius [A] |
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| 24 | // [DEFAULT]=radius_a=20.0 A |
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| 25 | double radius_a; |
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| 26 | |
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| 27 | /// Equatorial radius [A] |
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| 28 | // [DEFAULT]=radius_b= 400 A |
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| 29 | double radius_b; |
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| 30 | |
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| 31 | } DiamEllipsParameters; |
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| 32 | |
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| 33 | |
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| 34 | |
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| 35 | /// 1D scattering function |
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| 36 | double DiamEllips_analytical_1D(DiamEllipsParameters *pars, double q); |
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| 37 | |
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| 38 | /// 2D scattering function |
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| 39 | double DiamEllips_analytical_2D(DiamEllipsParameters *pars, double q, double phi); |
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| 40 | double DiamEllips_analytical_2DXY(DiamEllipsParameters *pars, double qx, double qy); |
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| 41 | |
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| 42 | #endif |
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