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Last change
on this file since 1de85f4 was
6319646,
checked in by Jae Cho <jhjcho@…>, 13 years ago
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new includes for scale fix for P*S
|
-
Property mode set to
100644
|
File size:
1.2 KB
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1 | #if !defined(Hardsphere_h) |
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2 | #define Hardsphere_h |
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3 | #include "parameters.hh" |
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4 | |
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5 | /** |
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6 | * Structure definition for HardsphereStructure (factor) parameters |
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7 | */ |
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8 | //[PYTHONCLASS] = HardsphereStructure |
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9 | //[DISP_PARAMS] = effect_radius |
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10 | //[DESCRIPTION] =<text>Structure factor for interacting particles: . |
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11 | // |
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12 | // The interparticle potential is |
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13 | // |
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14 | // U(r)= inf , r < 2R |
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15 | // = 0 , r >= 2R |
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16 | // |
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17 | // R: effective radius of the Hardsphere particle |
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18 | // V:The volume fraction |
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19 | // |
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20 | // Ref: Percus., J. K.,etc., J. Phy. |
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21 | // Rev. 1958, 110, 1. |
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22 | // </text> |
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23 | //[FIXED]= effect_radius.width |
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24 | |
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25 | class HardsphereStructure{ |
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26 | public: |
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27 | // Model parameters |
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28 | /// effect radius of hardsphere [A] |
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29 | // [DEFAULT]=effect_radius=50.0 [A] |
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30 | Parameter effect_radius; |
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31 | |
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32 | /// Volume fraction |
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33 | // [DEFAULT]=volfraction= 0.2 |
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34 | Parameter volfraction; |
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35 | |
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36 | // Constructor |
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37 | HardsphereStructure(); |
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38 | |
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39 | // Operators to get I(Q) |
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40 | double operator()(double q); |
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41 | double operator()(double qx, double qy); |
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42 | double calculate_ER(); |
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43 | double calculate_VR(); |
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44 | double evaluate_rphi(double q, double phi); |
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45 | }; |
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46 | |
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47 | #endif |
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