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Last change
on this file since 1fbb343 was
25579e8,
checked in by Jae Cho <jhjcho@…>, 16 years ago
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Enable structure factors
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Property mode set to
100644
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File size:
1.3 KB
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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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| 7 | // [DISP_PARAMS] = radius |
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| 8 | // [DESCRIPTION] = <text> Structure Factor for interacting particles: |
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| 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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| 16 | // R: radius (A)of the particle, v: volume fraction |
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| 17 | // d: well depth |
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| 18 | // w: well width; multiples of the particle diameter |
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| 19 | // |
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| 20 | // Ref: Sharma, R. V.; Sharma, K. C., Physica, |
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| 21 | // 1977, 89A, 213. |
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| 22 | // </text> |
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| 23 | // [FIXED]= radius.width |
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| 24 | |
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| 25 | |
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| 26 | typedef struct { |
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| 27 | /// Radius of particle [A] |
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| 28 | // [DEFAULT]=radius=50.0 A |
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| 29 | double radius; |
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| 30 | |
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| 31 | /// Volume fraction |
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| 32 | // [DEFAULT]=volfraction= 0.040 |
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| 33 | double volfraction; |
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| 34 | |
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| 35 | /// Well depth [kT] |
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| 36 | // [DEFAULT]=welldepth= 1.50 kT |
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| 37 | double welldepth; |
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| 38 | |
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| 39 | /// Well width |
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| 40 | // [DEFAULT]=wellwidth= 1.20 |
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| 41 | double wellwidth; |
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| 42 | |
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| 43 | } SquareWellParameters; |
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| 44 | |
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| 45 | |
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| 46 | |
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| 47 | /// 1D scattering function |
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| 48 | double SquareWell_analytical_1D(SquareWellParameters *pars, double q); |
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| 49 | |
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| 50 | /// 2D scattering function |
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| 51 | double SquareWell_analytical_2D(SquareWellParameters *pars, double q, double phi); |
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| 52 | double SquareWell_analytical_2DXY(SquareWellParameters *pars, double qx, double qy); |
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| 53 | |
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| 54 | #endif |
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