source: trunk/GSASIIlattice.py

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Diff Rev Age Author Log Message
(edit) @2154   9 years vondreele remove range restriction on LGmix - inhibited doing refinements do …
(edit) @2147   9 years vondreele handle TOF profile type=2 iparm files (e.g. for GEM) implement …
(edit) @2146   9 years vondreele improve HKL transformation; include set of common choices & trap failures
(edit) @2144   9 years vondreele Merge finished - all Laue groups (1/-1) checked OK
(edit) @2143   9 years vondreele fix cif UIJ order of keys - values OK work on hkl merge all but 321 & …
(edit) @2140   9 years vondreele tighten up zclip for zone 3D hkl plots show transformation rule on …
(edit) @2139   9 years vondreele fix multiple image problem in clibration/display, etc. more Laue …
(edit) @2138   9 years vondreele Add a Use data menu item in the phase Data tab to allow global …
(edit) @2136   9 years vondreele fix indexing problem in 32 bit versions - Skip in ProgressDialog? …
(edit) @2135   9 years vondreele more fixes to peak exports to get correct FWHM refactor Merge GUI
(edit) @2131   9 years vondreele revise Laue group lists
(edit) @2129   9 years vondreele revisions to FWHM calculations - some math errors fixed implement …
(edit) @2126   9 years vondreele add laueUnique to G2lattice for reindexing hkls to just unique Laue …
(edit) @2120   9 years vondreele Add plotting of 2D modulation vector result (a0g) for monoclinic. Trap …
(edit) @2038   10 years vondreele add betaij2Uij to G2lattice revisions to SS structure factor calcs. …
(edit) @2022   10 years vondreele fixes to TOF powder indexing & incommensurate structures
(edit) @1999   10 years vondreele
(edit) @1947   10 years vondreele do export of pole figures & inverse pole figures as csv files (can be …
(edit) @1945   10 years vondreele fix another new histo in new phase error some cleanup in texture …
(edit) @1820   10 years vondreele fix issues in reading powder peak lists (since TOF added) force reload …
(edit) @1793   10 years vondreele a few more corrections to texture stuff
(edit) @1792   10 years vondreele remove Exceptions from seqRefine; now returns & makes Message dialog …
(edit) @1773   10 years vondreele provide sig,gam & FWHM in export of PWDR reflection set as csv & txt …
(edit) @1766   10 years vondreele correct old LANSCE/HIPD import to give correct Omega, chi & phi from …
(edit) @1598   10 years vondreele insure super lattice reflection set is unique reflections only fix …
(edit) @1597   10 years vondreele Incommensurate Pawley refinement works, including refinement of …
(edit) @1596   11 years vondreele some bug fixes
(edit) @1594   11 years vondreele begin Pawley refinement stuff for incommensurate structures Pawley SS …
(edit) @1587   11 years vondreele use successive approx. to get d from TOF allow sorting on …
(edit) @1585   11 years vondreele remove Pwr from FitPeaksZ, SSZ & T - wasn't used put in derivatives …
(edit) @1581   11 years vondreele fix problem editing R3cR lattice parameters - incorrect angle index …
(edit) @1578   11 years vondreele add wx.Yield in RefineBox? refactor indexing for normal & superlattice …
(edit) @1489   11 years vondreele correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
(edit) @1475   11 years vondreele add MCSA tutorial to main gsasII.html web page change difB tern from …
(edit) @1452   11 years toby fix bug that shows up in numpy 1.8
(edit) @1445   11 years vondreele add error bars to calibration plot disable Autosearch if peaks already …
(edit) @1443   11 years vondreele add calibration of lam, difC, etc. from index peak positions new …
(edit) @1439   11 years vondreele add difB as a term in d3 for TOF - trial a patch for old files for …
(edit) @1402   11 years vondreele make pseudovariables work for strain seq. results fix Pos2dsp for TOF …
(edit) @1372   11 years vondreele missed an import
(edit) @1367   11 years vondreele add Dsp2pos & Pos2dsp for conversions to G2lattice remove wave from …
(edit) @1075   12 years vondreele implement new March-Dollase term in MC/SA
(edit) @1046   12 years vondreele put in missing GSASIIpath & version finder
(edit) @989   12 years toby add constraint derivs for single xtal; allow cellFill to work without …
(edit) @961   12 years vondreele fix rb constraints - useCount fix Uij2Ueqv mods to anneal algorithms …
(edit) @959   12 years vondreele added cell2GS & Uij2Ueqv
(edit) @949   12 years vondreele changes to MC/SA stuff
(edit) @939   12 years toby fix & cleanup unit tests; add/change doc strings for sphinx; add all …
(edit) @885   12 years vondreele add 'Global' to constraints remove a stray debug print fix U6toUij so …
(edit) @825   12 years vondreele small fixes to restraint processing
(edit) @812   12 years vondreele add restraint macro files fix a triclinic error in genHlaue continue …
(edit) @780   13 years vondreele fix sph. harm. error - bad acosd in CrsAng? small detail in G2struct - …
(edit) @762   13 years toby update py files to use native line ends, add update from svn to help …
(edit) @758   13 years vondreele fix in sph. harm. for hex/rhom/trig fix for view dir in plots remove a …
(edit) @736   13 years vondreele add space group choice to cell indexing page
(edit) @584   13 years vondreele add coding line everywhere more options in sample parm copy
(edit) @582   13 years vondreele fix to load image controls fix to sph harmonics calc
(edit) @520   13 years vondreele separate getHKLmax
(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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