source: trunk/GSASIIobj.py

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Diff Rev Age Author Log Message
(edit) @4413   5 years toby add texture docs and fix build problem
(edit) @4399   5 years toby major refactoring & corrections to ISODISTORT mode import and computations
(edit) @4370   5 years vondreele Add new parameter to Data tab - Layer DispSizerThis? is intended to …
(edit) @4327   5 years toby misc doc updates
(edit) @4326   5 years toby initialize exports before histogram export
(edit) @4320   5 years toby still more minor doc adjustments
(edit) @4318   5 years toby minor table adjustments & finally figure out Angstrom for LaTeX and …
(edit) @4315   5 years vondreele more fixes to documentation tables.
(edit) @4313   5 years toby giving up, LaTeX Angstrom symbol does not work in equations
(edit) @4312   5 years toby Fix LaTeX Angstrom symbol for MathJaX again
(edit) @4311   5 years toby Fix LaTeX Angstrom symbol for MathJaX
(edit) @4310   5 years toby remove Angstrom symbol. MathJaX fix fails in LaTeX
(edit) @4309   5 years toby more work on docs
(edit) @4308   5 years vondreele revisions to docs - set columns at tabs, fix up Instrument parms
(edit) @4307   5 years toby pretty up docs
(edit) @4306   5 years vondreele major doc edits
(edit) @4303   5 years toby fix scriptable for multiple image files and xfer correction in @4286
(edit) @4198   5 years toby doc improvements; new scripting options (rev. sequential & set …
(edit) @4136   6 years toby fix cancel in refine dialog, tested w/wx2.8,3.0 & 4.0
(edit) @4073   6 years vondreele minor typos & allow import PDB to read no unit cell dummy PDBs from …
(edit) @3823   6 years toby attempt to fix more broken doc references
(edit) @3822   6 years toby fixing a broken doc reference?
(edit) @3806   6 years toby redo parameter lookup to provide numerical deriv step size (see …
(edit) @3802   6 years toby generalized restraints completed
(edit) @3711   7 years toby major constraint update: move conflicting equivs to constraints; allow …
(edit) @3674   7 years toby misc cosmetic & build changes
(edit) @3599   7 years toby remove vars from constraints (see G2obj.removeNonRefined); new tutorial
(edit) @3597   7 years vondreele fix spelling errors in the list of parameter manes
(edit) @3590   7 years vondreele make some definitions of missing histogram varbs sort out …
(edit) @3506   7 years svnjenkins fix scriptable problem due to change in Restraints; update Tutorials; …
(edit) @3469   7 years toby revise Importer ext validation to deal with .sum.tif for 1ID
(edit) @3461   7 years toby Add CheckAllScalePhaseFractions? to add constraint when all phase …
(edit) @3458   7 years toby Complete basestring fix
(edit) @3447   7 years toby fix seq ref constraint numbering bug; fix use if HAP vars in PSvars & …
(edit) @3345   7 years toby rework ValidatedTextCtrl? so that typeHint overrides the initial …
(edit) @3298   7 years toby add publication quality Rietveld plots
(edit) @3284   7 years vondreele fix auto PDF if no formula given; assumes 'C 1.0'; put in missing …
(edit) @3231   7 years vondreele fix bug in IndexPeaks? display fix import pypowder issue in G2math fix …
(edit) @3187   7 years toby misc docs cleanups; add 1-ID metadata reader & new config variable
(edit) @3151   8 years vondreele male all default image pixel sizes [200.,200.] so ValidatedTxtCtrl? …
(edit) @3137   8 years vondreele replace old CifFile? with new py 2/7/3.6 compliant code fix cif file …
(edit) @3136   8 years vondreele make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
(edit) @3095   8 years vondreele add new confit parm: Show_timing enable editing of the Use column in …
(edit) @3062   8 years vondreele make minF/sig floating pt by default
(edit) @3061   8 years toby sort variable names
(edit) @3041   8 years toby Fully implement multiprocessing on reflection loops, but currently …
(edit) @3023   8 years odonnell remove wx dependency for GSASIIscriptable
(edit) @3000   8 years toby make the two frame version the trunk as we hit version 3000
(edit) @2894   8 years toby speed derivative computation; add commented timing code
(edit) @2871   8 years vondreele change ContourColor? default back to Paired even if it is 12 color …
(edit) @2863   8 years vondreele extend contour color selection to include reversed ones (doubles the …
(edit) @2846   8 years vondreele implement SVD inversion (Moore Penrose invert routine) in Hessian LSQ …
(edit) @2845   8 years toby fix for readthedocs (import without full set of packages
(edit) @2844   8 years toby fix for readthedocs (import without full set of packages
(edit) @2835   8 years vondreele add self.scriptable=False to ImportBaseClass? set it True in various …
(edit) @2820   8 years vondreele PWDR import now scriptable for single bank patterns
(edit) @2818   8 years vondreele add GetPhaseNames?(fl) to G2obj - uses opened gpx file fix …
(edit) @2817   8 years vondreele major revision - move all importers to GSASIIobj & make them …
(edit) @2765   8 years toby formatting changes for docs; add debug to conf.py
(edit) @2764   8 years toby formatting changes for docs; add debug to conf.py
(edit) @2727   8 years vondreele fix issue with formula volume in PDF creation block Lebail selection …
(edit) @2721   8 years vondreele fix pseudo variable issues when some vals are None fix problem of …
(edit) @2708   8 years vondreele removed 'Add' fromPDF default file items add 'Refine' for Sample Bkg …
(edit) @2705   8 years vondreele fix 'Area detector' from 'Image plate' issue.
(edit) @2698   8 years vondreele work over sequentia fit stuff - allow all parameters shown in table to …
(edit) @2695   8 years vondreele use min(intensity) as default for PDF Flat Bkg - gives better start …
(edit) @2692   8 years toby don't allow duplicate PDF entries; PWDR and PDF names must match.
(edit) @2688   8 years vondreele sequential PDF peak fitting now implemented
(edit) @2675   8 years toby Make new PDF names unique; plot G(r); minor fixes
(edit) @2667   8 years toby prevent Unicode in data tree names; move PDF setup to standalone routine
(edit) @2546   9 years vondreele cleanup of all GSASII main routines - remove unused variables, dead …
(edit) @2504   9 years vondreele fix typo in G2VarObj repr 'str' not 'self' set correct Scale for …
(edit) @2473   9 years vondreele work on magnetic structures - import from EXP, plotting, LS refine …
(edit) @2433   9 years toby update for sequential export
(edit) @2363   9 years toby fix minor bugs in sequential refinement
(edit) @2329   9 years vondreele sequential table distance & angle now OK, esds for distance OK, non …
(edit) @2327   9 years vondreele dist & angles now work for seq results table; esds are fake
(edit) @2326   9 years vondreele add more to angle calc
(edit) @2323   9 years toby prepare to calc s.u. for distance pseudo vars
(edit) @2318   9 years vondreele Add atom-atom distance to seq results table - needs debugging
(edit) @2316   9 years toby prototype distance calc.
(edit) @2308   9 years vondreele add sp.shell model or SASD - Thx to L.A, Avakyan fix (again) page …
(edit) @2062   10 years vondreele exclude non variable SS parms from constraint lists define ZigZag? & …
(edit) @1924   10 years vondreele work on H-atom riding constraints extend "short" phase names to full …
(edit) @1915   10 years vondreele start on riding constraints - works for atom frac,x,y,z; skipping u's …
(edit) @1884   10 years vondreele remove some unused imports add merohedral/pseudomerohedral Twin Laws …
(edit) @1875   10 years vondreele add Flack parameter to GUI (commented out for now)
(edit) @1833   10 years toby prev. ver. also fixed linux menu problem; missed one doc correction
(edit) @1832   10 years toby bug fix in unused grid code; doc fixes and cleanup
(edit) @1813   10 years vondreele revise GSAS-II exception handling - traps user aborts & I hope the bad …
(edit) @1802   10 years vondreele change 'all' to 'Seq. ref.' for '*' items in variable lists remove …
(edit) @1790   10 years vondreele remove unused FORPI from G2strMath New fitTexture routine to use seq …
(edit) @1698   10 years toby Allow powder data importers to set Controls values (such as FreePrm? …
(edit) @1625   10 years vondreele add a parameter to result from G2stIO.GetPhaseData? add modulation …
(edit) @1614   10 years vondreele Fix PDF plots & PDF Controls window issue SS names now fixed LS input …
(edit) @1606   10 years vondreele more FillAtomLookUp? errors a few more orthorhombic SS symbols some …
(edit) @1604   10 years vondreele make modulation wave maps fix atom index bugs begin modulated …
(edit) @1600   10 years vondreele atom ids in G2obj
(edit) @1595   11 years vondreele change ValEsd? to round at 3.16228 =sqrt(10); same as old GSAS add mod. …
(edit) @1496   11 years vondreele Add sequential peak fitting. Change Back:n to Back;n for background …
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