source: trunk/GSASIIlattice.py

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Diff Rev Age Author Log Message
(edit) @3638   3 years vondreele implement a count of unique magnetic atoms for each result from …
(edit) @3636   3 years vondreele Add BNS sub 'I' to possible axes list Add Magnetic-IV to tutorial list …
(edit) @3633   3 years vondreele extend Unit Cells List Bravais lattice choices to include Ammm and …
(edit) @3622   3 years vondreele fix for P2221 problem - shift of 1/400 needed
(edit) @3621   3 years vondreele Modify Transform tool to allow setting spins & displaying operators …
(edit) @3617   3 years vondreele fix mag space group counts fix k-SUBGROUPSMAG k-vec input fix lattice …
(edit) @3596   3 years vondreele fix OnTransform? for magnetic phases to give correct atom sites/symmetry
(edit) @3594   3 years vondreele fix vector problem in FindNonstandard? that messed up nonstandard atom …
(edit) @3591   3 years vondreele work on FindNonstandard? for mag space groups enhance UseMagAtomDialog?
(edit) @3590   3 years vondreele make some definitions of missing histogram varbs sort out …
(edit) @3589   3 years vondreele fixes to Bilbao mag symm stuff - now gets nonstd. sp.grp. correct with …
(edit) @3587   3 years vondreele further work on magnetic structures: now proper symmetry processing of …
(edit) @3586   3 years vondreele rename MiltiFloatDialog? to MultiDataDialog? - better now that it does …
(edit) @3585   3 years vondreele change Bilbao dialog to use fractions for kx,ky,kz (not decimals) - …
(edit) @3583   3 years vondreele fixes so orthorhombic mag space groups from Bilbao conserve axes - …
(edit) @3579   3 years vondreele fix transformation error for mag cells disable formation of magnetic …
(edit) @3568   3 years vondreele finish interface with k-SUBGROUPSMAG output - selection of space group …
(edit) @3474   3 years vondreele remove wx.Validator_IsSilent(): wx.Bell() from 2 places in G2ctrlGUI; …
(edit) @3406   3 years vondreele fix Transform to create correct(?) constraints between lattices, atom …
(edit) @3403   3 years vondreele fix a deleted phase problem in powder plots fix uaniso transformation …
(edit) @3402   3 years vondreele fix missing 'linescan' problem in old files fix cell/atom …
(edit) @3346   4 years vondreele fix the 1,1,1,90,90,90 problem for lattice parm default - 2 places
(edit) @3136   4 years vondreele make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
(edit) @3103   4 years vondreele show seq. result in structure drawing - steps thru histograms changing …
(edit) @3097   4 years vondreele fix origin shift transformation & vec,matrix, vec transformations; now …
(edit) @3092   4 years vondreele change # decimal places on pseudovariables from 3 to 5 fix bug on …
(edit) @3000   4 years toby make the two frame version the trunk as we hit version 3000
(edit) @2802   5 years toby updates for doc build
(edit) @2775   5 years toby make autoint polltime adjustable
(edit) @2764   5 years toby formatting changes for docs; add debug to conf.py
(edit) @2560   5 years vondreele make A2Gmat return np.arrays put in spinners for Background & …
(edit) @2546   5 years vondreele cleanup of all GSASII main routines - remove unused variables, dead …
(edit) @2512   5 years vondreele remove 'constraint' and 'restraint' from Consraints & Restraints tabs …
(edit) @2486   5 years vondreele fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4) …
(edit) @2484   5 years vondreele fix transform to properly move magnetic moments (if space group is not …
(edit) @2482   5 years vondreele allow atom constraints between phases
(edit) @2481   5 years vondreele force Transform to delete nonmagnetic atoms if phase made magnetic & …
(edit) @2480   5 years vondreele add make magnetic phase to General/Transform? option trap missing rigid …
(edit) @2476   5 years vondreele Add new feature to structure plots - display an hkl plane or stack of …
(edit) @2473   5 years vondreele work on magnetic structures - import from EXP, plotting, LS refine …
(edit) @2470   5 years vondreele magnetic structure editing/drawing work - includes site symm restrictions
(edit) @2430   5 years vondreele force limits from d-min to be within allowed range & less than 168.5 …
(edit) @2369   5 years vondreele revisions to inverse pole figure calcs - now close to correct symmetry
(edit) @2367   5 years vondreele add display of inverse pole figure for each histogram - works but are …
(edit) @2233   5 years vondreele force transposed phase atoms to be in unit cell modify structure plot …
(edit) @2232   5 years vondreele fix atom transform problem with incomplete structures
(edit) @2228   5 years vondreele fixes to Transform of unit cell contents
(edit) @2219   6 years vondreele allow fractions in transformation matrix/vector elements fix cell …
(edit) @2218   6 years vondreele work on cell transformations - fills new cell with unique atom set, …
(edit) @2212   6 years vondreele Implement 'abc*' as one of the 'Common' cell transformations. …
(edit) @2154   6 years vondreele remove range restriction on LGmix - inhibited doing refinements do …
(edit) @2147   6 years vondreele handle TOF profile type=2 iparm files (e.g. for GEM) implement …
(edit) @2146   6 years vondreele improve HKL transformation; include set of common choices & trap failures
(edit) @2144   6 years vondreele Merge finished - all Laue groups (1/-1) checked OK
(edit) @2143   6 years vondreele fix cif UIJ order of keys - values OK work on hkl merge all but 321 & …
(edit) @2140   6 years vondreele tighten up zclip for zone 3D hkl plots show transformation rule on …
(edit) @2139   6 years vondreele fix multiple image problem in clibration/display, etc. more Laue …
(edit) @2138   6 years vondreele Add a Use data menu item in the phase Data tab to allow global …
(edit) @2136   6 years vondreele fix indexing problem in 32 bit versions - Skip in ProgressDialog?
(edit) @2135   6 years vondreele more fixes to peak exports to get correct FWHM refactor Merge GUI
(edit) @2131   6 years vondreele revise Laue group lists
(edit) @2129   6 years vondreele revisions to FWHM calculations - some math errors fixed implement …
(edit) @2126   6 years vondreele add laueUnique to G2lattice for reindexing hkls to just unique Laue …
(edit) @2120   6 years vondreele Add plotting of 2D modulation vector result (a0g) for monoclinic. Trap …
(edit) @2038   6 years vondreele add betaij2Uij to G2lattice revisions to SS structure factor calcs. …
(edit) @2022   6 years vondreele fixes to TOF powder indexing & incommensurate structures
(edit) @1999   6 years vondreele
(edit) @1947   6 years vondreele do export of pole figures & inverse pole figures as csv files (can be …
(edit) @1945   6 years vondreele fix another new histo in new phase error some cleanup in texture …
(edit) @1820   6 years vondreele fix issues in reading powder peak lists (since TOF added) force reload …
(edit) @1793   7 years vondreele a few more corrections to texture stuff
(edit) @1792   7 years vondreele remove Exceptions from seqRefine; now returns & makes Message dialog …
(edit) @1773   7 years vondreele provide sig,gam & FWHM in export of PWDR reflection set as csv & txt …
(edit) @1766   7 years vondreele correct old LANSCE/HIPD import to give correct Omega, chi & phi from …
(edit) @1598   7 years vondreele insure super lattice reflection set is unique reflections only fix …
(edit) @1597   7 years vondreele Incommensurate Pawley refinement works, including refinement of …
(edit) @1596   7 years vondreele some bug fixes
(edit) @1594   7 years vondreele begin Pawley refinement stuff for incommensurate structures Pawley SS …
(edit) @1587   7 years vondreele use successive approx. to get d from TOF allow sorting on …
(edit) @1585   7 years vondreele remove Pwr from FitPeaksZ, SSZ & T - wasn't used put in derivatives …
(edit) @1581   7 years vondreele fix problem editing R3cR lattice parameters - incorrect angle index …
(edit) @1578   7 years vondreele add wx.Yield in RefineBox? refactor indexing for normal & superlattice …
(edit) @1489   7 years vondreele correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
(edit) @1475   7 years vondreele add MCSA tutorial to main gsasII.html web page change difB tern from …
(edit) @1452   7 years toby fix bug that shows up in numpy 1.8
(edit) @1445   7 years vondreele add error bars to calibration plot disable Autosearch if peaks already …
(edit) @1443   7 years vondreele add calibration of lam, difC, etc. from index peak positions new …
(edit) @1439   7 years vondreele add difB as a term in d3 for TOF - trial a patch for old files for …
(edit) @1402   7 years vondreele make pseudovariables work for strain seq. results fix Pos2dsp for TOF …
(edit) @1372   7 years vondreele missed an import
(edit) @1367   7 years vondreele add Dsp2pos & Pos2dsp for conversions to G2lattice remove wave from …
(edit) @1075   8 years vondreele implement new March-Dollase term in MC/SA
(edit) @1046   8 years vondreele put in missing GSASIIpath & version finder
(edit) @989   8 years toby add constraint derivs for single xtal; allow cellFill to work without …
(edit) @961   8 years vondreele fix rb constraints - useCount fix Uij2Ueqv mods to anneal algorithms …
(edit) @959   8 years vondreele added cell2GS & Uij2Ueqv
(edit) @949   8 years vondreele changes to MC/SA stuff
(edit) @939   8 years toby fix & cleanup unit tests; add/change doc strings for sphinx; add all …
(edit) @885   9 years vondreele add 'Global' to constraints remove a stray debug print fix U6toUij so …
(edit) @825   9 years vondreele small fixes to restraint processing
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