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Last change
on this file since 54b9ad2 was
79492222,
checked in by krzywon, 10 years ago
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Changed the file and folder names to remove all SANS references.
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-
Property mode set to
100644
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File size:
1.4 KB
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Rev | Line | |
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[318b5bbb] | 1 | #if !defined(TwoYukawa_h) |
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| 2 | #define TwoYukawa_h |
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| 3 | #include "parameters.hh" |
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| 4 | |
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| 5 | /** |
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| 6 | * Structure definition for TwoYukawaModel (factor) parameters |
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| 7 | */ |
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| 8 | //[PYTHONCLASS] = TwoYukawaModel |
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| 9 | //[DESCRIPTION] =<text>Structure factor for interacting particles: . |
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| 10 | // |
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| 11 | // Calculates the structure factor, S(q), for a monodisperse spherical particle interacting |
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| 12 | // through a two-Yukawa potential. The Mean Spherical Approximation is used as the |
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| 13 | // closure to solve the Ornstein-Zernicke equations. |
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| 14 | // |
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| 15 | // The function calculated is S(q), based on the solution of the Ornstein-Zernicke equations |
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| 16 | // using the Two-Yukawa potential (in its scaled form, r=r/diam): |
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| 17 | // |
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| 18 | // Radius is that of the hard core. The returned value is dimensionless. |
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| 19 | // </text> |
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| 20 | |
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| 21 | |
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| 22 | class TwoYukawaModel{ |
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| 23 | public: |
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| 24 | |
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| 25 | // Model parameters |
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| 26 | |
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| 27 | /// Something volfraction |
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| 28 | // [DEFAULT]=volfraction= 0.2 |
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| 29 | Parameter volfraction; |
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| 30 | |
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| 31 | // [DEFAULT]=effect_radius= 50.0 [A] |
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| 32 | Parameter effect_radius; |
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| 33 | |
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| 34 | // [DEFAULT]=scale_K1= 6.0 |
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| 35 | Parameter scale_K1; |
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| 36 | |
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| 37 | // [DEFAULT]=decayConst_Z1= 10.0 |
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| 38 | Parameter decayConst_Z1; |
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| 39 | |
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| 40 | // [DEFAULT]=scale_K2= -1.0 |
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| 41 | Parameter scale_K2; |
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| 42 | |
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| 43 | // [DEFAULT]=decayConst_Z2= 2.0 |
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| 44 | Parameter decayConst_Z2; |
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| 45 | |
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| 46 | // Constructor |
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| 47 | TwoYukawaModel(); |
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| 48 | |
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| 49 | // Operators to get I(Q) |
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| 50 | double operator()(double q); |
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| 51 | double operator()(double qx, double qy); |
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| 52 | double calculate_ER(); |
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| 53 | double calculate_VR(); |
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| 54 | double evaluate_rphi(double q, double phi); |
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| 55 | }; |
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| 56 | |
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| 57 | #endif |
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