source: trunk/GSASIIlattice.py

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Diff Rev Age Author Log Message
(edit) @395   12 years vondreele Add goniometer omega, chi & phi to sample data put SH texture in …
(edit) @391   12 years vondreele set default atom frac=1 for cif files store covMatrix not normalized …
(edit) @384   12 years vondreele add constraint & restraint items to tree - now empty fix noncentro …
(edit) @380   12 years vondreele completed Rietveld refinement version
(edit) @379   12 years vondreele finish spherical harmonics preferred orientation
(edit) @378   12 years vondreele a Pawley intensity fix, format fixes & Sph. Harm PO correction
(edit) @375   12 years vondreele GSASIIgrid.py - add Pawley estimator to menu GSASIIlattice.py - fix …
(edit) @360   12 years vondreele just backup before trip
(edit) @353   12 years vondreele modify psvfcj.for to use sh/l only add derivative routine to …
(edit) @342   12 years vondreele major modifications to get 1st "working" version of Refine Add …
(edit) @326   12 years vondreele remove cf2py add inverse polefigure
(edit) @313   12 years vondreele work on texture display & computation
(edit) @312   12 years vondreele implement refinement of zero point as part of cell refinement
(edit) @311   12 years vondreele finish new indexing refinement stuff more on texture plotting
(edit) @303   12 years vondreele Allow reading of xye (Topas style) files Begin implementation of …
(edit) @296   12 years vondreele major change to peak fitting in GSASIIpwd.py & GSASIIpwdGUI.py "Auto …
(edit) @264   12 years vondreele begin implementation of pdf generation - work in progress modify image …
(edit) @230   13 years vondreele add svn keywords & add log intensity plotting
(edit) @193   13 years vondreele various fixes, but still bugs. GSASII.py - add more sample parameters …
(edit) @189   13 years vondreele change names in GenHKLLaue to conform to general usage
(edit) @166   13 years vondreele fixups of atom editing/atom drawing
(edit) @164   13 years vondreele more parameters
(edit) @162   13 years toby change rhomb permutation list to remove Fridel pairs
(edit) @158   13 years vondreele implement drawing options: select atom hilites movable test point & …
(edit) @155   13 years vondreele changes for structure drawing
(edit) @110   13 years vondreel resolved
(edit) @109   13 years toby fix up GenHLaue
(edit) @108   13 years vondreel fix to GenHlaue?; add Hx2Rh & Rh2Hx mod to ReadPDBPhase to use np.inner …
(edit) @105   13 years vondreel fix doc in cell2AB
(edit) @103   13 years toby add more Laue classes to self test (now fails); move source library
(edit) @102   13 years toby add space group list; fix minor bugs in GenHLaue & add unit test
(edit) @93   13 years toby G2lattice: add GetBraviasNum? to interface GenHBravais to …
(edit) @78   13 years vondreel split IndexPeaks?, etc. from GSASIIcomp.py & put in new GSASIIindex.py
(edit) @76   13 years vondreel After merge with BT mods
(edit) @73   13 years vondreel remove Bob's bad code & simplify calc_rVsq
(edit) @71   13 years toby Update orthogonalization routine w/unit-tests
(add) @70   13 years toby move lattice operations into GSASIIlattice w/unit tests
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