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Last change
on this file since 3a39c2e was
79492222,
checked in by krzywon, 10 years ago
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Changed the file and folder names to remove all SANS references.
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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 | #include "parameters.hh" |
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4 | |
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5 | /**Structure definition for SquareWell parameters |
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6 | */ |
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7 | // [PYTHONCLASS] = SquareWellStructure |
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8 | // [DISP_PARAMS] = effect_radius |
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9 | // [DESCRIPTION] = <text> Structure Factor for interacting particles: . |
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10 | // |
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11 | // The interaction potential is |
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12 | // |
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13 | // U(r)= inf , r < 2R |
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14 | // = -d , 2R <= r <=2Rw |
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15 | // = 0 , r >= 2Rw |
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16 | // |
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17 | // R: effective radius (A)of the particle |
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18 | // v: volume fraction |
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19 | // d: well depth |
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20 | // w: well width; multiples of the |
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21 | // particle diameter |
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22 | // |
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23 | // Ref: Sharma, R. V.; Sharma, |
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24 | // K. C., Physica, 1977, 89A, 213. |
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25 | // </text> |
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26 | // [FIXED]= effect_radius.width |
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27 | //[ORIENTATION_PARAMS]= <text> </text> |
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28 | |
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29 | class SquareWellStructure{ |
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30 | public: |
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31 | // Model parameters |
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32 | /// effective radius of particle [A] |
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33 | // [DEFAULT]=effect_radius=50.0 [A] |
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34 | Parameter effect_radius; |
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35 | |
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36 | /// Volume fraction |
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37 | // [DEFAULT]=volfraction= 0.040 |
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38 | Parameter volfraction; |
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39 | |
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40 | /// Well depth [kT] |
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41 | // [DEFAULT]=welldepth= 1.50 [kT] |
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42 | Parameter welldepth; |
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43 | |
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44 | /// Well width |
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45 | // [DEFAULT]=wellwidth= 1.20 |
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46 | Parameter wellwidth; |
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47 | |
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48 | // Constructor |
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49 | SquareWellStructure(); |
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50 | |
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51 | // Operators to get I(Q) |
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52 | double operator()(double q); |
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53 | double operator()(double qx, double qy); |
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54 | double calculate_ER(); |
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55 | double calculate_VR(); |
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56 | double evaluate_rphi(double q, double phi); |
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57 | }; |
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58 | |
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59 | #endif |
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