Changes in / [ca77fc1:a5bcd61] in sasmodels


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sasmodels/models
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3 edited

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  • sasmodels/models/bcc_paracrystal.py

    r2d81cfe rda7b26b  
    11r""" 
     2.. warning:: This model and this model description are under review following  
     3             concerns raised by SasView users. If you need to use this model,  
     4             please email help@sasview.org for the latest situation. *The  
     5             SasView Developers. September 2018.* 
     6 
    27Definition 
    38---------- 
     
    1318 
    1419    I(q) = \frac{\text{scale}}{V_p} V_\text{lattice} P(q) Z(q) 
    15  
    1620 
    1721where *scale* is the volume fraction of spheres, $V_p$ is the volume of the 
     
    97101 
    98102Authorship and Verification 
    99 ---------------------------- 
     103--------------------------- 
    100104 
    101105* **Author:** NIST IGOR/DANSE **Date:** pre 2010 
  • sasmodels/models/fcc_paracrystal.py

    r2d81cfe rda7b26b  
    33#note - calculation requires double precision 
    44r""" 
     5.. warning:: This model and this model description are under review following  
     6             concerns raised by SasView users. If you need to use this model,  
     7             please email help@sasview.org for the latest situation. *The  
     8             SasView Developers. September 2018.* 
     9 
     10Definition 
     11---------- 
     12 
    513Calculates the scattering from a **face-centered cubic lattice** with 
    614paracrystalline distortion. Thermal vibrations are considered to be 
     
    816Paracrystalline distortion is assumed to be isotropic and characterized by 
    917a Gaussian distribution. 
    10  
    11 Definition 
    12 ---------- 
    1318 
    1419The scattering intensity $I(q)$ is calculated as 
     
    2328is the paracrystalline structure factor for a face-centered cubic structure. 
    2429 
    25 Equation (1) of the 1990 reference is used to calculate $Z(q)$, using 
    26 equations (23)-(25) from the 1987 paper for $Z1$, $Z2$, and $Z3$. 
     30Equation (1) of the 1990 reference\ [#CIT1990]_ is used to calculate $Z(q)$, 
     31using equations (23)-(25) from the 1987 paper\ [#CIT1987]_ for $Z1$, $Z2$, and 
     32$Z3$. 
    2733 
    2834The lattice correction (the occupied volume of the lattice) for a 
     
    8894---------- 
    8995 
    90 Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 
    91 (Original Paper) 
     96.. [#CIT1987] Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 
     97   (Original Paper) 
     98.. [#CIT1990] Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 
     99   (Corrections to FCC and BCC lattice structure calculation) 
    92100 
    93 Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 
    94 (Corrections to FCC and BCC lattice structure calculation) 
     101Authorship and Verification 
     102--------------------------- 
     103 
     104* **Author:** NIST IGOR/DANSE **Date:** pre 2010 
     105* **Last Modified by:** Paul Butler **Date:** September 29, 2016 
     106* **Last Reviewed by:** Richard Heenan **Date:** March 21, 2016 
    95107""" 
    96108 
  • sasmodels/models/sc_paracrystal.py

    r2d81cfe rda7b26b  
    11r""" 
     2.. warning:: This model and this model description are under review following  
     3             concerns raised by SasView users. If you need to use this model,  
     4             please email help@sasview.org for the latest situation. *The  
     5             SasView Developers. September 2018.* 
     6              
     7Definition 
     8---------- 
     9 
    210Calculates the scattering from a **simple cubic lattice** with 
    311paracrystalline distortion. Thermal vibrations are considered to be 
     
    513Paracrystalline distortion is assumed to be isotropic and characterized 
    614by a Gaussian distribution. 
    7  
    8 Definition 
    9 ---------- 
    1015 
    1116The scattering intensity $I(q)$ is calculated as 
     
    2025$Z(q)$ is the paracrystalline structure factor for a simple cubic structure. 
    2126 
    22 Equation (16) of the 1987 reference is used to calculate $Z(q)$, using 
    23 equations (13)-(15) from the 1987 paper for Z1, Z2, and Z3. 
     27Equation (16) of the 1987 reference\ [#CIT1987]_ is used to calculate $Z(q)$, 
     28using equations (13)-(15) from the 1987 paper\ [#CIT1987]_ for $Z1$, $Z2$, and 
     29$Z3$. 
    2430 
    2531The lattice correction (the occupied volume of the lattice) for a simple cubic 
     
    9197Reference 
    9298--------- 
    93 Hideki Matsuoka et. al. *Physical Review B,* 36 (1987) 1754-1765 
    94 (Original Paper) 
    9599 
    96 Hideki Matsuoka et. al. *Physical Review B,* 41 (1990) 3854 -3856 
    97 (Corrections to FCC and BCC lattice structure calculation) 
     100.. [#CIT1987] Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 
     101   (Original Paper) 
     102.. [#CIT1990] Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 
     103   (Corrections to FCC and BCC lattice structure calculation) 
     104 
     105Authorship and Verification 
     106--------------------------- 
     107 
     108* **Author:** NIST IGOR/DANSE **Date:** pre 2010 
     109* **Last Modified by:** Paul Butler **Date:** September 29, 2016 
     110* **Last Reviewed by:** Richard Heenan **Date:** March 21, 2016 
    98111""" 
    99112 
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