Changeset 68532f3 in sasmodels for _sources/model/bcc.txt
- Timestamp:
- Nov 1, 2015 2:10:22 PM (8 years ago)
- Branches:
- gh-pages
- Children:
- 4a9a316
- Parents:
- d1fe925
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- 1 moved
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_sources/model/bcc.txt
rd1fe925 r68532f3 1 #bcc paracrystal model 2 #note model title and parameter table are automatically inserted 3 #note - calculation requires double precision 4 r""" 1 .. _bcc-paracrystal: 2 3 Bcc paracrystal 4 ======================================================= 5 6 Body-centred cubic lattic with paracrystalline distortion 7 8 =========== ================================== ============ ============= 9 Parameter Description Units Default value 10 =========== ================================== ============ ============= 11 scale Source intensity None 1 12 background Source background |cm^-1| 0 13 dnn Nearest neighbour distance |Ang| 220 14 d_factor Paracrystal distortion factor None 0.06 15 radius Particle radius |Ang| 40 16 sld Particle scattering length density |1e-6Ang^-2| 4 17 solvent_sld Solvent scattering length density |1e-6Ang^-2| 1 18 theta In plane angle degree 60 19 phi Out of plane angle degree 60 20 psi Out of plane angle degree 60 21 =========== ================================== ============ ============= 22 23 The returned value is scaled to units of |cm^-1|. 24 25 5 26 Calculates the scattering from a **body-centered cubic lattice** with 6 27 paracrystalline distortion. Thermal vibrations are considered to be negligible, … … 102 123 Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 103 124 (Corrections to FCC and BCC lattice structure calculation) 104 """105 125 106 from numpy import inf107 108 name = "bcc_paracrystal"109 title = "Body-centred cubic lattic with paracrystalline distortion"110 description = """111 Calculates the scattering from a **body-centered cubic lattice** with paracrystalline distortion. Thermal vibrations112 are considered to be negligible, and the size of the paracrystal is infinitely large. Paracrystalline distortion is113 assumed to be isotropic and characterized by a Gaussian distribution.114 """115 category = "shape:paracrystal"116 117 # ["name", "units", default, [lower, upper], "type","description" ],118 parameters = [["dnn", "Ang", 220, [-inf, inf], "", "Nearest neighbour distance"],119 ["d_factor", "", 0.06, [-inf, inf], "", "Paracrystal distortion factor"],120 ["radius", "Ang", 40, [0, inf], "volume", "Particle radius"],121 ["sld", "1e-6/Ang^2", 4, [-inf, inf], "", "Particle scattering length density"],122 ["solvent_sld", "1e-6/Ang^2", 1, [-inf, inf], "", "Solvent scattering length density"],123 ["theta", "degrees", 60, [-inf, inf], "orientation", "In plane angle"],124 ["phi", "degrees", 60, [-inf, inf], "orientation", "Out of plane angle"],125 ["psi", "degrees", 60, [-inf, inf], "orientation", "Out of plane angle"]126 ]127 128 source = ["lib/J1.c", "lib/gauss150.c", "bcc.c"]129 130 # parameters for demo131 demo = dict(132 scale=1, background=0,133 dnn=220, d_factor=0.06, sld=4, solvent_sld=1,134 radius=40,135 theta=60, phi=60, psi=60,136 radius_pd=.2, radius_pd_n=0.2,137 theta_pd=15, theta_pd_n=0,138 phi_pd=15, phi_pd_n=0,139 psi_pd=15, psi_pd_n=0,140 )141 142 # For testing against the old sasview models, include the converted parameter143 # names and the target sasview model name.144 oldname = 'BCCrystalModel'145 oldpars = dict(sld='sldSph', solvent_sld='sldSolv')
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