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Last change
on this file since ca94880 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:
1.1 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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| 3 | |
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| 4 | /** |
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| 5 | * Structure definition for HardsphereStructure (factor) parameters |
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| 6 | */ |
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| 7 | //[PYTHONCLASS] = HardsphereStructure |
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| 8 | //[DISP_PARAMS] = radius |
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| 9 | //[DESCRIPTION] =<text>Structure factor for interacting particles: |
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| 10 | // |
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| 11 | // The interparticle potential is |
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| 12 | // |
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| 13 | // U(r)= inf , r < 2R |
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| 14 | // = 0 , r >= 2R |
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| 15 | // |
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| 16 | // R: radius of the Hardsphere particle |
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| 17 | // V:The volume fraction |
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| 18 | // |
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| 19 | // Ref: Percus., J. K.,etc., J. Phy. Rev. |
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| 20 | // 1958, 110, 1. |
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| 21 | // </text> |
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| 22 | //[FIXED]= radius.width |
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| 23 | typedef struct { |
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| 24 | /// Radius of hardsphere [A] |
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| 25 | // [DEFAULT]=radius=50.0 A |
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| 26 | double radius; |
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| 27 | |
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| 28 | /// Volume fraction |
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| 29 | // [DEFAULT]=volfraction= 0.2 |
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| 30 | double volfraction; |
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| 31 | } HardsphereParameters; |
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| 32 | |
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| 33 | |
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| 34 | |
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| 35 | /// 1D scattering function |
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| 36 | double Hardsphere_analytical_1D(HardsphereParameters *pars, double q); |
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| 37 | |
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| 38 | /// 2D scattering function |
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| 39 | double Hardsphere_analytical_2D(HardsphereParameters *pars, double q, double phi); |
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| 40 | double Hardsphere_analytical_2DXY(HardsphereParameters *pars, double qx, double qy); |
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| 41 | |
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| 42 | #endif |
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