Changeset 9947865 in sasmodels for sasmodels/models/hayter_msa.py


Ignore:
Timestamp:
Mar 28, 2019 5:27:10 AM (5 months ago)
Author:
smk78
Branches:
master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
708bc7a, fa8e6dc
Parents:
5f3c534
Message:

Changed low limit for charge in hayter_msa from 0 to 1e-6

File:
1 edited

Legend:

Unmodified
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  • sasmodels/models/hayter_msa.py

    r5f3c534 r9947865  
    1111   This routine only works for charged particles! If the charge is set  
    1212   to zero the routine may self-destruct! For uncharged particles use  
    13    the :ref:`hardsphere` $S(q)$ instead. 
     13   the :ref:`hardsphere` $S(q)$ instead. The upper limit for the charge 
     14   is limited to 200e to avoid numerical instabilities. 
    1415    
    1516.. note:: 
     
    7475* **Author:**  
    7576* **Last Modified by:**  
    76 * **Last Reviewed by:** Steve King **Date:** March 27, 2019 
     77* **Last Reviewed by:** Steve King **Date:** March 28, 2019 
    7778* **Source added by :** Steve King **Date:** March 25, 2019 
    7879""" 
     
    108109# pylint: disable=bad-whitespace, line-too-long 
    109110#             [ "name", "units", default, [lower, upper], "type", "description" ], 
     111# 
     112# NOTE: SMK, 28Mar19 The upper limit for charge is set to 200 to avoid instabilities noted by PK in  
     113#       Ticket #1152. Also see the thread in Ticket 859. The docs above also note that charge=0 will  
     114#       cause problems, yet the default parameters allowed it! After discussions with PK I have 
     115#       changed it to (an arbitarily) small but non-zero value.  But I haven't changed the low limit  
     116#       in function random() below. 
     117# 
    110118parameters = [ 
    111119    ["radius_effective", "Ang", 20.75,   [0, inf],    "volume", "effective radius of charged sphere"], 
    112120    ["volfraction",   "None",     0.0192, [0, 0.74],   "", "volume fraction of spheres"], 
    113     ["charge",        "e",   19.0,    [0, 200],    "", "charge on sphere (in electrons)"], 
     121    ["charge",        "e",   19.0,    [0.000001, 200],    "", "charge on sphere (in electrons)"], 
    114122    ["temperature",   "K",  318.16,   [0, 450],    "", "temperature, in Kelvin, for Debye length calculation"], 
    115123    ["concentration_salt",      "M",    0.0,    [0, inf], "", "conc of salt, moles/litre, 1:1 electolyte, for Debye length"], 
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