Changes in / [a5bcd61:ca77fc1] in sasmodels


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sasmodels/models
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3 edited

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  • sasmodels/models/bcc_paracrystal.py

    rda7b26b r2d81cfe  
    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  
    72Definition 
    83---------- 
    … …  
    1813 
    1914    I(q) = \frac{\text{scale}}{V_p} V_\text{lattice} P(q) Z(q) 
     15 
    2016 
    2117where *scale* is the volume fraction of spheres, $V_p$ is the volume of the 
    … …  
    10197 
    10298Authorship and Verification 
    103 --------------------------- 
     99---------------------------- 
    104100 
    105101* **Author:** NIST IGOR/DANSE **Date:** pre 2010 

  • sasmodels/models/fcc_paracrystal.py

    rda7b26b r2d81cfe  
    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  
    10 Definition 
    11 ---------- 
    12  
    135Calculates the scattering from a **face-centered cubic lattice** with 
    146paracrystalline distortion. Thermal vibrations are considered to be 
    … …  
    168Paracrystalline distortion is assumed to be isotropic and characterized by 
    179a Gaussian distribution. 
     10 
     11Definition 
     12---------- 
    1813 
    1914The scattering intensity $I(q)$ is calculated as 
    … …  
    2823is the paracrystalline structure factor for a face-centered cubic structure. 
    2924 
    30 Equation (1) of the 1990 reference\ [#CIT1990]_ is used to calculate $Z(q)$, 
    31 using equations (23)-(25) from the 1987 paper\ [#CIT1987]_ for $Z1$, $Z2$, and 
    32 $Z3$. 
     25Equation (1) of the 1990 reference is used to calculate $Z(q)$, using 
     26equations (23)-(25) from the 1987 paper for $Z1$, $Z2$, and $Z3$. 
    3327 
    3428The lattice correction (the occupied volume of the lattice) for a 
    … …  
    9488---------- 
    9589 
    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) 
     90Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 
     91(Original Paper) 
    10092 
    101 Authorship 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 
     93Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 
     94(Corrections to FCC and BCC lattice structure calculation) 
    10795""" 
    10896 

  • sasmodels/models/sc_paracrystal.py

    rda7b26b r2d81cfe  
    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               
    7 Definition 
    8 ---------- 
    9  
    102Calculates the scattering from a **simple cubic lattice** with 
    113paracrystalline distortion. Thermal vibrations are considered to be 
    … …  
    135Paracrystalline distortion is assumed to be isotropic and characterized 
    146by a Gaussian distribution. 
     7 
     8Definition 
     9---------- 
    1510 
    1611The scattering intensity $I(q)$ is calculated as 
    … …  
    2520$Z(q)$ is the paracrystalline structure factor for a simple cubic structure. 
    2621 
    27 Equation (16) of the 1987 reference\ [#CIT1987]_ is used to calculate $Z(q)$, 
    28 using equations (13)-(15) from the 1987 paper\ [#CIT1987]_ for $Z1$, $Z2$, and 
    29 $Z3$. 
     22Equation (16) of the 1987 reference is used to calculate $Z(q)$, using 
     23equations (13)-(15) from the 1987 paper for Z1, Z2, and Z3. 
    3024 
    3125The lattice correction (the occupied volume of the lattice) for a simple cubic 
    … …  
    9791Reference 
    9892--------- 
     93Hideki Matsuoka et. al. *Physical Review B,* 36 (1987) 1754-1765 
     94(Original Paper) 
    9995 
    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  
    105 Authorship 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 
     96Hideki Matsuoka et. al. *Physical Review B,* 41 (1990) 3854 -3856 
     97(Corrections to FCC and BCC lattice structure calculation) 
    11198""" 
    11299 
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