Changeset 989 for trunk/GSASIIlattice.py


Ignore:
Timestamp:
Jul 13, 2013 10:21:12 PM (8 years ago)
Author:
toby
Message:

add constraint derivs for single xtal; allow cellFill to work without esds; update docs; fix controls copy bug

File:
1 edited

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  • trunk/GSASIIlattice.py

    r961 r989  
    44---------------------------
    55
    6 Perform lattice-related computations'''
     6Perform lattice-related computations
     7
     8Note that *g* is the reciprocal lattice tensor, and *G* is its inverse,
     9:math:`G = g^{-1}`, where
     10
     11  .. math::
     12
     13   G = \\left( \\begin{matrix}
     14   a^2 & a b\\cos\gamma & a c\\cos\\beta \\\\
     15   a b\\cos\\gamma & b^2 & b c \cos\\alpha \\\\
     16   a c\\cos\\beta &  b c \\cos\\alpha & c^2
     17   \\end{matrix}\\right)
     18
     19The "*A* tensor" terms are defined as
     20:math:`A = (\\begin{matrix} G_{11} & G_{22} & G_{33} & 2G_{12} & 2G_{13} & 2G_{23}\\end{matrix})` and *A* can be used in this fashion:
     21:math:`d^* = \sqrt {A_1 h^2 + A_2 k^2 + A_3 l^2 + A_4 hk + A_5 hl + A_6 kl}`, where
     22*d* is the d-spacing, and :math:`d^*` is the reciprocal lattice spacing,
     23:math:`Q = 2 \\pi d^* = 2 \\pi / d`
     24'''
    725########### SVN repository information ###################
    826# $Date$
     
    90108
    91109def A2Gmat(A,inverse=True):
    92     """Fill real & reciprocal metric tensor (G) from A
     110    """Fill real & reciprocal metric tensor (G) from A.
    93111
    94112    :param A: reciprocal metric tensor elements as [G11,G22,G33,2*G12,2*G13,2*G23]
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