source: trunk/GSASIIstrIO.py

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Diff Rev Age Author Log Message
(edit) @4862   7 months vondreele add A-centered monoclinic to list of indexable lattices. Fix a number …
(edit) @4861   7 months toby fix Bob's RB constraint fix
(edit) @4859   7 months vondreele use new symmetry constraint scheme in MakeRBParms
(edit) @4854   7 months vondreele apply scheme used for Uiso symmetry constraints to all other symmetry …
(edit) @4853   7 months vondreele fix to development of Uij constraints for atoms on 3 folds; lines …
(edit) @4852   7 months vondreele clarify text about constraints in ShowLSParms put a wx.Raise in for …
(edit) @4849   7 months toby apply symmetry constraints on rigid body origin; show position vars …
(edit) @4840   8 months toby LeBail? issues: bug on zero cycles fixed; new LeBail? fit menu item; …
(edit) @4839   8 months vondreele change formatting for scale/phase fraction in G2ddataGUI & G2strIO now …
(edit) @4834   8 months vondreele change 'RBf' to 'RBVf' & 'RBRf' as appropriate.
(edit) @4829   8 months toby minor bugs: site sym for wrong RB; GUI stuff; force RB edit before …
(edit) @4824   8 months vondreele add new refinable RB parameter for atom site fraction - always there; …
(edit) @4823   8 months toby fix naming of new variable constraints; label them & improve …
(edit) @4814   8 months toby Add 'V' option (vector only) for rigid body fitting -- cleanup
(edit) @4813   8 months toby Add 'V' option (vector only) for rigid body fitting
(edit) @4686   10 months vondreele fix bug in fix background file handling
(edit) @4681   10 months toby density format corrected
(edit) @4671   10 months vondreele add refinable multiplier for a fixed background; multiplier is now …
(edit) @4666   11 months vondreele Add output of resonant neutron scattering lengths for CW powder & …
(edit) @4661   11 months toby update CIF export: add rigid body, fix bug in single xtal ref tbl; …
(edit) @4629   12 months vondreele GetXsectionCoeff? - remove a 'U' from an open - deprecated close infile …
(edit) @4628   12 months toby fixup display of sequential refinement messages
(edit) @4591   12 months toby fix limit bug
(edit) @4588   12 months toby use G2VarObj for param limits; add more info to seq. ref. done dialog; …
(edit) @4534   15 months toby implement variable limits; show cell under Dij vals
(edit) @4520   15 months vondreele some corrections for pink beam single peak fits implement pink beam …
(edit) @4509   16 months vondreele fix texture refinement error - incorrect azimuth values
(edit) @4401   18 months vondreele Add texture index & esd to texture results - all 3 different cases. …
(edit) @4399   18 months toby major refactoring & corrections to ISODISTORT mode import and computations
(edit) @4371   19 months vondreele patch to avoid crash on missing Layer Disp in Refine
(edit) @4370   19 months vondreele Add new parameter to Data tab - Layer DispSizerThis? is intended to …
(edit) @4197   23 months vondreele put reference to Cromer & Liberman in Absorb & Fprime as well as …
(edit) @4111   2 years toby move GetPhaseData? inside histogram loop so sym constraints are …
(edit) @4047   2 years toby remove reflections if hist dropped from phase
(edit) @4021   2 years toby implement filter for screen messages; start to replace print() with …
(edit) @3925   2 years toby bugfix for fixed background: conflict for single xtal
(edit) @3906   3 years toby implement fixed backgound file in Riteveld Fit; show Rietveld & peak …
(edit) @3887   3 years toby Fix restore of seq results after crash
(edit) @3886   3 years vondreele change variable SUBGRPUOS --> SubGroups? (avoid possible confusion with …
(edit) @3885   3 years toby correct seq ref hist error
(edit) @3884   3 years toby correct seq ref hist error
(edit) @3883   3 years toby correct seq ref hist error
(edit) @3873   3 years toby trap error if unable to delete seq files
(edit) @3855   3 years toby major speed up with very big sequential fits
(edit) @3849   3 years toby finish sequential ref. via scripting; doc updates
(edit) @3814   3 years toby refactor to move some IO-only routines; add initial image support to …
(edit) @3813   3 years vondreele fix problem with update of modulation vector after refinement change …
(edit) @3811   3 years toby scriptable: fix reading py2 gpx in py3 & use of multi-set instprm files
(edit) @3803   3 years vondreele fix print bug in twin refinement output a fix(?) to the alumina Uij …
(edit) @3792   3 years vondreele Add density to lst output
(edit) @3789   3 years toby fix transpose error for lattice constraints
(edit) @3760   3 years vondreele remove AwaveType?,PwaveType?,FwaveType? & MwaveType? from constraints …
(edit) @3756   3 years vondreele add an importer for edited NIST hb3a diffractometer (defunct?) fixes …
(edit) @3754   3 years vondreele begin work on incommensurate mag. structure factors fix problem of …
(edit) @3752   3 years vondreele more fixes to GetHistogramPhaseData?
(edit) @3751   3 years vondreele fix bug in GetHistogramPhaseData? for reflection generation.
(edit) @3747   3 years vondreele provide fix for missing reflection sets in LeBail? sequential refinements
(edit) @3737   3 years vondreele reorder descriptions in front of G2ctrlGUI to alpha order - now easier …
(edit) @3713   3 years toby constraint bug fix; comments
(edit) @3711   3 years toby major constraint update: move conflicting equivs to constraints; allow …
(edit) @3577   3 years vondreele delete MAXMAGN - not using it any more fix (maybe) mag constraints; …
(edit) @3573   3 years vondreele fix 2 bugs in vector rigid body stuff add setting 1 to setting 2 …
(edit) @3438   3 years vondreele g2strIO fix magnetic hkl extinctions in reflection generation remove …
(edit) @3392   3 years vondreele fix issues with multiphase refinements & multiphase plots, etc. move …
(edit) @3390   3 years vondreele fix issue with deleted phases in Restraints - they are now deleted …
(edit) @3377   3 years vondreele revise sequential refinement to retain previous runs & update those …
(edit) @3373   3 years toby make sequential refinement setting work like a global flag; add …
(edit) @3340   4 years vondreele make testDeriv py3 compatible fix problem with Reload draw atoms - mag …
(edit) @3311   4 years vondreele remove unused SytSym? argument from GetCSpqinel - not needed
(edit) @3286   4 years vondreele add modulation movies to structure drawings; makes gif files for both …
(edit) @3266   4 years vondreele change modulated wave type assignments so one for each kind of wave …
(edit) @3255   4 years toby add code to update phase parms from sequential fit
(edit) @3163   4 years vondreele fix typo in Tb neutron scattering factors; extra space fix lst output …
(edit) @3157   4 years vondreele add Lorentzian term 'Z' to CW profile instrument parameters - constant …
(edit) @3136   4 years vondreele make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
(edit) @3054   4 years vondreele fixes to MCSA gui routines; trap <3 atom RBs fix missing AtLookup?
(edit) @3046   4 years toby label user-supplied & code-generated equivalences (constraints); …
(edit) @3000   4 years toby make the two frame version the trunk as we hit version 3000
(edit) @2840   4 years vondreele fix PDB importer & reimport atoms rework RB GUI - now shows just one …
(edit) @2770   5 years vondreele fix import new phase behavior - wasn't finishing properly fix HKL …
(edit) @2766   5 years vondreele add display of optional vertical lines to PlotXY (used for …
(edit) @2753   5 years vondreele minor shuffling about for atom constraints - no discernable impact …
(edit) @2752   5 years vondreele fix (again) a LeBail? bug on loading a new phase
(edit) @2750   5 years vondreele fix issues with adding new phase, forgetting to add atoms to it, and …
(edit) @2748   5 years vondreele Sigh, another LeBail? fix
(edit) @2746   5 years vondreele fix another Lebail bug dress up some formatting for mustrain & size …
(edit) @2743   5 years vondreele more Lebail fixes
(edit) @2741   5 years vondreele fix issues with LeBail? flags & Rietveld refinement
(edit) @2739   5 years vondreele comment out "other self-updating plots" - caused failures in GSASII.py …
(edit) @2735   5 years vondreele set default flight path = 20. in case FPATH0 missing from TOF Iparm …
(edit) @2732   5 years vondreele finish up LeBail? extraction option
(edit) @2728   5 years vondreele disable LeBail? stuff - messed up Rietveld.
(edit) @2727   5 years vondreele fix issue with formula volume in PDF creation block Lebail selection …
(edit) @2718   5 years vondreele implement LaBail? - not finished.
(edit) @2715   5 years vondreele put histogram numbers in sorted order for View LS parms remove some …
(edit) @2698   5 years vondreele work over sequentia fit stuff - allow all parameters shown in table to …
(edit) @2658   5 years toby fix problem reporting histogram with Unicode chars
(edit) @2633   5 years vondreele rename 'Rb' & 'wRb' as 'R-bkg' & 'wR-bkg'
(edit) @2616   5 years vondreele add Durbin-Watson statistic to refinement results for PWDR data some …
(edit) @2589   5 years vondreele Make Pawley dmin define limits for histograms upon refinement - do …
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