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Last change
on this file since c6d3301 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:
914 bytes
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Rev | Line | |
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[cabe74b] | 1 | #if !defined(DiamCyl_h) |
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| 2 | #define DiamCyl_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] = DiamCylFunc |
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| 7 | * [DISP_PARAMS] = radius, length |
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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 | </text> |
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| 13 | [FIXED]= <text> |
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| 14 | radius.width; length.width |
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| 15 | </text> |
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| 16 | **/ |
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| 17 | |
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| 18 | typedef struct { |
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| 19 | /// Radius [A] |
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| 20 | // [DEFAULT]=radius=20.0 A |
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| 21 | double radius; |
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| 22 | |
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| 23 | /// Length [A] |
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| 24 | // [DEFAULT]=length= 400 A |
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| 25 | double length; |
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| 26 | |
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| 27 | } DiamCyldParameters; |
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| 28 | |
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| 29 | |
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| 30 | |
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| 31 | /// 1D scattering function |
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| 32 | double DiamCyld_analytical_1D(DiamCyldParameters *pars, double q); |
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| 33 | |
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| 34 | /// 2D scattering function |
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| 35 | double DiamCyld_analytical_2D(DiamCyldParameters *pars, double q, double phi); |
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| 36 | double DiamCyld_analytical_2DXY(DiamCyldParameters *pars, double qx, double qy); |
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| 37 | |
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| 38 | #endif |
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