Changeset c1e44e5 in sasmodels for sasmodels/models/squarewell.py


Ignore:
Timestamp:
Mar 29, 2019 11:59:45 PM (5 years ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master
Children:
a42b091
Parents:
663d2a8
Message:

Add local link to source files. Refs #1263.

File:
1 edited

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  • sasmodels/models/squarewell.py

    r5f3c534 rc1e44e5  
    11# Note: model title and parameter table are inserted automatically 
    22r""" 
    3 Calculates the interparticle structure factor for a hard sphere fluid  
    4 with a narrow, attractive, square well potential. **The Mean Spherical  
    5 Approximation (MSA) closure relationship is used, but it is not the most  
    6 appropriate closure for an attractive interparticle potential.** However,  
    7 the solution has been compared to Monte Carlo simulations for a square  
    8 well fluid and these show the MSA calculation to be limited to well  
     3Calculates the interparticle structure factor for a hard sphere fluid 
     4with a narrow, attractive, square well potential. **The Mean Spherical 
     5Approximation (MSA) closure relationship is used, but it is not the most 
     6appropriate closure for an attractive interparticle potential.** However, 
     7the solution has been compared to Monte Carlo simulations for a square 
     8well fluid and these show the MSA calculation to be limited to well 
    99depths $\epsilon < 1.5$ kT and volume fractions $\phi < 0.08$. 
    1010 
    1111Positive well depths correspond to an attractive potential well. Negative 
    1212well depths correspond to a potential "shoulder", which may or may not be 
    13 physically reasonable. The :ref:`stickyhardsphere` model may be a better  
     13physically reasonable. The :ref:`stickyhardsphere` model may be a better 
    1414choice in some circumstances. 
    1515 
     
    1818.. note:: 
    1919 
    20    Earlier versions of SasView did not incorporate the so-called  
    21    $\beta(q)$ ("beta") correction [2] for polydispersity and non-sphericity.  
     20   Earlier versions of SasView did not incorporate the so-called 
     21   $\beta(q)$ ("beta") correction [2] for polydispersity and non-sphericity. 
    2222   This is only available in SasView versions 4.2.2 and higher. 
    2323 
     
    5454.. [#] M Kotlarchyk and S-H Chen, *J. Chem. Phys.*, 79 (1983) 2461-2469 
    5555 
    56 Source 
    57 ------ 
    58  
    59 `squarewell.py <https://github.com/SasView/sasmodels/blob/master/sasmodels/models/squarewell.py>`_ 
    60  
    6156Authorship and Verification 
    6257---------------------------- 
    6358 
    64 * **Author:**  
    65 * **Last Modified by:**  
     59* **Author:** 
     60* **Last Modified by:** 
    6661* **Last Reviewed by:** Steve King **Date:** March 27, 2019 
    67 * **Source added by :** Steve King **Date:** March 25, 2019 
    6862""" 
    6963 
     
    7569description = """\ 
    7670    [Square well structure factor, with MSA closure] 
    77         Interparticle structure factor S(Q) for a hard sphere fluid  
     71        Interparticle structure factor S(Q) for a hard sphere fluid 
    7872    with a narrow attractive well. Fits are prone to deliver non- 
    79     physical parameters; use with care and read the references in  
    80     the model documentation.The "beta(q)" correction is available  
     73    physical parameters; use with care and read the references in 
     74    the model documentation.The "beta(q)" correction is available 
    8175    in versions 4.2.2 and higher. 
    8276""" 
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