# Changeset 989 for trunk/GSASIIlattice.py

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

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

File:
1 edited

### Legend:

Unmodified
 r961 --------------------------- Perform lattice-related computations''' Perform lattice-related computations Note that *g* is the reciprocal lattice tensor, and *G* is its inverse, :math:G = g^{-1}, where .. math:: G = \\left( \\begin{matrix} a^2 & a b\\cos\gamma & a c\\cos\\beta \\\\ a b\\cos\\gamma & b^2 & b c \cos\\alpha \\\\ a c\\cos\\beta &  b c \\cos\\alpha & c^2 \\end{matrix}\\right) The "*A* tensor" terms are defined as :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: :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 *d* is the d-spacing, and :math:d^* is the reciprocal lattice spacing, :math:Q = 2 \\pi d^* = 2 \\pi / d ''' ########### SVN repository information ################### # $Date$ def A2Gmat(A,inverse=True): """Fill real & reciprocal metric tensor (G) from A """Fill real & reciprocal metric tensor (G) from A. :param A: reciprocal metric tensor elements as [G11,G22,G33,2*G12,2*G13,2*G23]