source: trunk/GSASIIlattice.py

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Diff Rev Age Author Log Message
(edit) @432   14 years vondreele remove test prints from GSASIIIO new Gmat2AB routine work on the DData …
(edit) @395   14 years vondreele Add goniometer omega, chi & phi to sample data put SH texture in …
(edit) @391   14 years vondreele set default atom frac=1 for cif files store covMatrix not normalized …
(edit) @384   14 years vondreele add constraint & restraint items to tree - now empty fix noncentro …
(edit) @380   14 years vondreele completed Rietveld refinement version
(edit) @379   14 years vondreele finish spherical harmonics preferred orientation
(edit) @378   14 years vondreele a Pawley intensity fix, format fixes & Sph. Harm PO correction
(edit) @375   14 years vondreele GSASIIgrid.py - add Pawley estimator to menu GSASIIlattice.py - fix …
(edit) @360   14 years vondreele just backup before trip
(edit) @353   14 years vondreele modify psvfcj.for to use sh/l only add derivative routine to …
(edit) @342   14 years vondreele major modifications to get 1st "working" version of Refine Add …
(edit) @326   14 years vondreele remove cf2py add inverse polefigure
(edit) @313   14 years vondreele work on texture display & computation
(edit) @312   14 years vondreele implement refinement of zero point as part of cell refinement
(edit) @311   14 years vondreele finish new indexing refinement stuff more on texture plotting
(edit) @303   14 years vondreele Allow reading of xye (Topas style) files Begin implementation of …
(edit) @296   14 years vondreele major change to peak fitting in GSASIIpwd.py & GSASIIpwdGUI.py "Auto …
(edit) @264   14 years vondreele begin implementation of pdf generation - work in progress modify image …
(edit) @230   14 years vondreele add svn keywords & add log intensity plotting
(edit) @193   14 years vondreele various fixes, but still bugs. GSASII.py - add more sample parameters …
(edit) @189   14 years vondreele change names in GenHKLLaue to conform to general usage
(edit) @166   15 years vondreele fixups of atom editing/atom drawing
(edit) @164   15 years vondreele more parameters
(edit) @162   15 years toby change rhomb permutation list to remove Fridel pairs
(edit) @158   15 years vondreele implement drawing options: select atom hilites movable test point & …
(edit) @155   15 years vondreele changes for structure drawing
(edit) @110   15 years vondreel resolved
(edit) @109   15 years toby fix up GenHLaue
(edit) @108   15 years vondreel fix to GenHlaue?; add Hx2Rh & Rh2Hx mod to ReadPDBPhase to use np.inner …
(edit) @105   15 years vondreel fix doc in cell2AB
(edit) @103   15 years toby add more Laue classes to self test (now fails); move source library
(edit) @102   15 years toby add space group list; fix minor bugs in GenHLaue & add unit test
(edit) @93   15 years toby G2lattice: add GetBraviasNum? to interface GenHBravais to …
(edit) @78   15 years vondreel split IndexPeaks?, etc. from GSASIIcomp.py & put in new GSASIIindex.py
(edit) @76   15 years vondreel After merge with BT mods
(edit) @73   15 years vondreel remove Bob's bad code & simplify calc_rVsq
(edit) @71   15 years toby Update orthogonalization routine w/unit-tests
(add) @70   15 years toby move lattice operations into GSASIIlattice w/unit tests
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