- Timestamp:
- Jan 9, 2018 2:14:34 PM (7 years ago)
- Branches:
- master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- c11d09f
- Parents:
- 22279a4 (diff), 791281c (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent. - Location:
- doc/guide/pd
- Files:
-
- 2 added
- 1 edited
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doc/guide/pd/polydispersity.rst
reda8b30 r22279a4 42 42 calculations are generally more robust with more data points or more angles. 43 43 44 The following fivedistribution functions are provided:44 The following distribution functions are provided: 45 45 46 46 * *Rectangular Distribution* 47 * *Uniform Distribution* 47 48 * *Gaussian Distribution* 48 49 * *Lognormal Distribution* 49 50 * *Schulz Distribution* 50 51 * *Array Distribution* 52 * *Boltzmann Distribution* 51 53 52 54 These are all implemented as *number-average* distributions. … … 85 87 Rectangular distribution. 86 88 89 Uniform Distribution 90 ^^^^^^^^^^^^^^^^^^^^^^^^ 91 92 The Uniform Distribution is defined as 93 94 .. math:: 95 96 f(x) = \frac{1}{\text{Norm}} 97 \begin{cases} 98 1 & \text{for } |x - \bar x| \leq \sigma \\ 99 0 & \text{for } |x - \bar x| > \sigma 100 \end{cases} 101 102 where $\bar x$ is the mean of the distribution, $\sigma$ is the half-width, and 103 *Norm* is a normalization factor which is determined during the numerical 104 calculation. 105 106 Note that the polydispersity is given by 107 108 .. math:: \text{PD} = \sigma / \bar x 109 110 .. figure:: pd_uniform.jpg 111 112 Uniform distribution. 113 87 114 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 88 115 … … 183 210 ^^^^^^^^^^^^^^^^^^ 184 211 185 This user-definable distribution should be given as a s asimple ASCII text212 This user-definable distribution should be given as a simple ASCII text 186 213 file where the array is defined by two columns of numbers: $x$ and $f(x)$. 187 214 The $f(x)$ will be normalized to 1 during the computation. … … 202 229 given for the model will have no affect, and will be ignored when computing 203 230 the average. This means that any parameter with an array distribution will 204 not be fittable. 231 not be fitable. 232 233 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 234 235 Boltzmann Distribution 236 ^^^^^^^^^^^^^^^^^^^^^^ 237 238 The Boltzmann Distribution is defined as 239 240 .. math:: 241 242 f(x) = \frac{1}{\text{Norm}} 243 \exp\left(-\frac{ | x - \bar x | }{\sigma}\right) 244 245 where $\bar x$ is the mean of the distribution and *Norm* is a normalization 246 factor which is determined during the numerical calculation. 247 The width is defined as 248 249 .. math:: \sigma=\frac{k T}{E} 250 251 which is the inverse Boltzmann factor, 252 where $k$ is the Boltzmann constant, $T$ the temperature in Kelvin and $E$ a 253 characteristic energy per particle. 254 255 .. figure:: pd_boltzmann.jpg 256 257 Boltzmann distribution. 205 258 206 259 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
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