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Last change
on this file since d6da3b1 was
5eb9154,
checked in by Jae Cho <jhjcho@…>, 15 years ago
|
calculation of the effective radius are added
|
-
Property mode set to
100644
|
File size:
1.4 KB
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Rev | Line | |
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[25579e8] | 1 | #if !defined(SquareWell_h) |
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| 2 | #define SquareWell_h |
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| 3 | |
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| 4 | /**Structure definition for SquareWell parameters |
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| 5 | */ |
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| 6 | // [PYTHONCLASS] = SquareWellStructure |
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[5eb9154] | 7 | // [DISP_PARAMS] = effect_radius |
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[1ed3834] | 8 | // [DESCRIPTION] = <text> Structure Factor for interacting particles: . |
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[25579e8] | 9 | // |
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| 10 | // The interaction potential is |
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| 11 | // |
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| 12 | // U(r)= inf , r < 2R |
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| 13 | // = -d , 2R <= r <=2Rw |
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| 14 | // = 0 , r >= 2Rw |
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| 15 | // |
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[5eb9154] | 16 | // R: effective radius (A)of the particle |
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[1ed3834] | 17 | // v: volume fraction |
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[25579e8] | 18 | // d: well depth |
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[1ed3834] | 19 | // w: well width; multiples of the |
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| 20 | // particle diameter |
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[25579e8] | 21 | // |
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[1ed3834] | 22 | // Ref: Sharma, R. V.; Sharma, |
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| 23 | // K. C., Physica, 1977, 89A, 213. |
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[25579e8] | 24 | // </text> |
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[5eb9154] | 25 | // [FIXED]= effect_radius.width |
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[25a608f5] | 26 | //[ORIENTATION_PARAMS]= <text> </text> |
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[25579e8] | 27 | |
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| 28 | |
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| 29 | typedef struct { |
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[5eb9154] | 30 | /// effective radius of particle [A] |
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| 31 | // [DEFAULT]=effect_radius=50.0 [A] |
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| 32 | double effect_radius; |
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[25579e8] | 33 | |
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| 34 | /// Volume fraction |
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| 35 | // [DEFAULT]=volfraction= 0.040 |
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| 36 | double volfraction; |
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| 37 | |
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| 38 | /// Well depth [kT] |
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[70faf5d] | 39 | // [DEFAULT]=welldepth= 1.50 [kT] |
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[25579e8] | 40 | double welldepth; |
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| 41 | |
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[70faf5d] | 42 | /// Well width |
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| 43 | // [DEFAULT]=wellwidth= 1.20 |
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[25579e8] | 44 | double wellwidth; |
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| 45 | |
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| 46 | } SquareWellParameters; |
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| 47 | |
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| 48 | |
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| 49 | |
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| 50 | /// 1D scattering function |
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| 51 | double SquareWell_analytical_1D(SquareWellParameters *pars, double q); |
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| 52 | |
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| 53 | /// 2D scattering function |
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| 54 | double SquareWell_analytical_2D(SquareWellParameters *pars, double q, double phi); |
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| 55 | double SquareWell_analytical_2DXY(SquareWellParameters *pars, double qx, double qy); |
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| 56 | |
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| 57 | #endif |
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