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Last change
on this file since c6d3301 was
5eb9154,
checked in by Jae Cho <jhjcho@…>, 15 years ago
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calculation of the effective radius are added
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-
Property mode set to
100644
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File size:
1.4 KB
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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] = effect_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: effective radius (A)of the particle |
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17 | // v: volume fraction |
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18 | // d: well depth |
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19 | // w: well width; multiples of the |
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20 | // particle diameter |
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21 | // |
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22 | // Ref: Sharma, R. V.; Sharma, |
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23 | // K. C., Physica, 1977, 89A, 213. |
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24 | // </text> |
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25 | // [FIXED]= effect_radius.width |
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26 | //[ORIENTATION_PARAMS]= <text> </text> |
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27 | |
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28 | |
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29 | typedef struct { |
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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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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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39 | // [DEFAULT]=welldepth= 1.50 [kT] |
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40 | double welldepth; |
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41 | |
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42 | /// Well width |
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43 | // [DEFAULT]=wellwidth= 1.20 |
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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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