Changeset 4c08e69 in sasmodels for doc


Ignore:
Timestamp:
Jan 9, 2018 2:14:34 PM (7 years ago)
Author:
Paul Kienzle <pkienzle@…>
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.
Message:

Merge branch 'master' into boltzmann

Location:
doc/guide/pd
Files:
2 added
1 edited

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  • doc/guide/pd/polydispersity.rst

    reda8b30 r22279a4  
    4242calculations are generally more robust with more data points or more angles. 
    4343 
    44 The following five distribution functions are provided: 
     44The following distribution functions are provided: 
    4545 
    4646*  *Rectangular Distribution* 
     47*  *Uniform Distribution* 
    4748*  *Gaussian Distribution* 
    4849*  *Lognormal Distribution* 
    4950*  *Schulz Distribution* 
    5051*  *Array Distribution* 
     52*  *Boltzmann Distribution* 
    5153 
    5254These are all implemented as *number-average* distributions. 
     
    8587    Rectangular distribution. 
    8688 
     89Uniform Distribution 
     90^^^^^^^^^^^^^^^^^^^^^^^^ 
     91 
     92The 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 
    87114.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
    88115 
     
    183210^^^^^^^^^^^^^^^^^^ 
    184211 
    185 This user-definable distribution should be given as as a simple ASCII text 
     212This user-definable distribution should be given as a simple ASCII text 
    186213file where the array is defined by two columns of numbers: $x$ and $f(x)$. 
    187214The $f(x)$ will be normalized to 1 during the computation. 
     
    202229given for the model will have no affect, and will be ignored when computing 
    203230the average.  This means that any parameter with an array distribution will 
    204 not be fittable. 
     231not be fitable. 
     232 
     233.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
     234 
     235Boltzmann Distribution 
     236^^^^^^^^^^^^^^^^^^^^^^ 
     237 
     238The 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 
     245where $\bar x$ is the mean of the distribution and *Norm* is a normalization 
     246factor which is determined during the numerical calculation. 
     247The width is defined as 
     248 
     249.. math:: \sigma=\frac{k T}{E} 
     250 
     251which is the inverse Boltzmann factor, 
     252where $k$ is the Boltzmann constant, $T$ the temperature in Kelvin and $E$ a 
     253characteristic energy per particle. 
     254 
     255.. figure:: pd_boltzmann.jpg 
     256 
     257    Boltzmann distribution. 
    205258 
    206259.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
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