Changeset 989 for trunk/GSASIIlattice.py
 Timestamp:
 Jul 13, 2013 10:21:12 PM (8 years ago)
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trunk/GSASIIlattice.py
r961 r989 4 4  5 5 6 Perform latticerelated computations''' 6 Perform latticerelated computations 7 8 Note 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 19 The "*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 dspacing, and :math:`d^*` is the reciprocal lattice spacing, 23 :math:`Q = 2 \\pi d^* = 2 \\pi / d` 24 ''' 7 25 ########### SVN repository information ################### 8 26 # $Date$ … … 90 108 91 109 def A2Gmat(A,inverse=True): 92 """Fill real & reciprocal metric tensor (G) from A 110 """Fill real & reciprocal metric tensor (G) from A. 93 111 94 112 :param A: reciprocal metric tensor elements as [G11,G22,G33,2*G12,2*G13,2*G23]
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