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Last change
on this file since 4d09267 was
cabe74b,
checked in by Jae Cho <jhjcho@…>, 15 years ago
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Added 2nd virial coeff. functions
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Property mode set to
100644
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File size:
914 bytes
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1 | #if !defined(DiamCyl_h) |
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2 | #define DiamCyl_h |
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3 | |
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4 | /** |
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5 | * To calculate the 2nd virial coefficient |
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6 | * [PYTHONCLASS] = DiamCylFunc |
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7 | * [DISP_PARAMS] = radius, length |
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8 | [DESCRIPTION] =<text>To calculate the 2nd virial coefficient for |
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9 | the non-spherical object, then find the |
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10 | radius of sphere that has this value of |
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11 | virial coefficient. |
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12 | </text> |
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13 | [FIXED]= <text> |
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14 | radius.width; length.width |
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15 | </text> |
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16 | **/ |
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17 | |
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18 | typedef struct { |
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19 | /// Radius [A] |
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20 | // [DEFAULT]=radius=20.0 A |
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21 | double radius; |
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22 | |
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23 | /// Length [A] |
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24 | // [DEFAULT]=length= 400 A |
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25 | double length; |
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26 | |
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27 | } DiamCyldParameters; |
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28 | |
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29 | |
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30 | |
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31 | /// 1D scattering function |
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32 | double DiamCyld_analytical_1D(DiamCyldParameters *pars, double q); |
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33 | |
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34 | /// 2D scattering function |
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35 | double DiamCyld_analytical_2D(DiamCyldParameters *pars, double q, double phi); |
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36 | double DiamCyld_analytical_2DXY(DiamCyldParameters *pars, double qx, double qy); |
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37 | |
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38 | #endif |
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