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Last change
on this file since cd127d2 was
101065a,
checked in by Mathieu Doucet <doucetm@…>, 13 years ago
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keep only header files in c_extensions and rename it 'include'
|
-
Property mode set to
100644
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File size:
1.1 KB
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Rev | Line | |
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[25579e8] | 1 | #if !defined(Hardsphere_h) |
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| 2 | #define Hardsphere_h |
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[0ba3b08] | 3 | #include "parameters.hh" |
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[25579e8] | 4 | |
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| 5 | /** |
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| 6 | * Structure definition for HardsphereStructure (factor) parameters |
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| 7 | */ |
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[0ba3b08] | 8 | //[PYTHONCLASS] = HardsphereStructure |
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| 9 | //[DISP_PARAMS] = effect_radius |
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| 10 | //[DESCRIPTION] =<text>Structure factor for interacting particles: . |
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| 11 | // |
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| 12 | // The interparticle potential is |
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| 13 | // |
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| 14 | // U(r)= inf , r < 2R |
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| 15 | // = 0 , r >= 2R |
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| 16 | // |
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| 17 | // R: effective radius of the Hardsphere particle |
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| 18 | // V:The volume fraction |
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| 19 | // |
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| 20 | // Ref: Percus., J. K.,etc., J. Phy. |
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| 21 | // Rev. 1958, 110, 1. |
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| 22 | // </text> |
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| 23 | //[FIXED]= effect_radius.width |
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| 24 | |
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| 25 | class HardsphereStructure{ |
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| 26 | public: |
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| 27 | // Model parameters |
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| 28 | /// effect radius of hardsphere [A] |
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| 29 | // [DEFAULT]=effect_radius=50.0 [A] |
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| 30 | Parameter effect_radius; |
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| 31 | |
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| 32 | /// Volume fraction |
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| 33 | // [DEFAULT]=volfraction= 0.2 |
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| 34 | Parameter volfraction; |
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| 35 | |
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| 36 | // Constructor |
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| 37 | HardsphereStructure(); |
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| 38 | |
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| 39 | // Operators to get I(Q) |
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| 40 | double operator()(double q); |
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| 41 | double operator()(double qx, double qy); |
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| 42 | double calculate_ER(); |
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| 43 | double evaluate_rphi(double q, double phi); |
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| 44 | }; |
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[25579e8] | 45 | |
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| 46 | #endif |
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