source: trunk/GSASIIstrIO.py

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Diff Rev Age Author Log Message
(edit) @4834   4 years vondreele change 'RBf' to 'RBVf' & 'RBRf' as appropriate.
(edit) @4829   4 years toby minor bugs: site sym for wrong RB; GUI stuff; force RB edit before …
(edit) @4824   4 years vondreele add new refinable RB parameter for atom site fraction - always there; …
(edit) @4823   4 years toby fix naming of new variable constraints; label them & improve …
(edit) @4814   4 years toby Add 'V' option (vector only) for rigid body fitting -- cleanup
(edit) @4813   4 years toby Add 'V' option (vector only) for rigid body fitting
(edit) @4686   4 years vondreele fix bug in fix background file handling
(edit) @4681   4 years toby density format corrected
(edit) @4671   4 years vondreele add refinable multiplier for a fixed background; multiplier is now …
(edit) @4666   5 years vondreele Add output of resonant neutron scattering lengths for CW powder & …
(edit) @4661   5 years toby update CIF export: add rigid body, fix bug in single xtal ref tbl; …
(edit) @4629   5 years vondreele GetXsectionCoeff? - remove a 'U' from an open - deprecated close infile …
(edit) @4628   5 years toby fixup display of sequential refinement messages
(edit) @4591   5 years toby fix limit bug
(edit) @4588   5 years toby use G2VarObj for param limits; add more info to seq. ref. done dialog; …
(edit) @4534   5 years toby implement variable limits; show cell under Dij vals
(edit) @4520   5 years vondreele some corrections for pink beam single peak fits implement pink beam …
(edit) @4509   5 years vondreele fix texture refinement error - incorrect azimuth values
(edit) @4401   5 years vondreele Add texture index & esd to texture results - all 3 different cases. …
(edit) @4399   5 years toby major refactoring & corrections to ISODISTORT mode import and computations
(edit) @4371   5 years vondreele patch to avoid crash on missing Layer Disp in Refine
(edit) @4370   5 years vondreele Add new parameter to Data tab - Layer DispSizerThis? is intended to …
(edit) @4197   5 years vondreele put reference to Cromer & Liberman in Absorb & Fprime as well as …
(edit) @4111   6 years toby move GetPhaseData? inside histogram loop so sym constraints are …
(edit) @4047   6 years toby remove reflections if hist dropped from phase
(edit) @4021   6 years toby implement filter for screen messages; start to replace print() with …
(edit) @3925   6 years toby bugfix for fixed background: conflict for single xtal
(edit) @3906   6 years toby implement fixed backgound file in Riteveld Fit; show Rietveld & peak …
(edit) @3887   6 years toby Fix restore of seq results after crash
(edit) @3886   6 years vondreele change variable SUBGRPUOS --> SubGroups? (avoid possible confusion with …
(edit) @3885   6 years toby correct seq ref hist error
(edit) @3884   6 years toby correct seq ref hist error
(edit) @3883   6 years toby correct seq ref hist error
(edit) @3873   6 years toby trap error if unable to delete seq files
(edit) @3855   6 years toby major speed up with very big sequential fits
(edit) @3849   6 years toby finish sequential ref. via scripting; doc updates
(edit) @3814   6 years toby refactor to move some IO-only routines; add initial image support to …
(edit) @3813   6 years vondreele fix problem with update of modulation vector after refinement change …
(edit) @3811   6 years toby scriptable: fix reading py2 gpx in py3 & use of multi-set instprm files
(edit) @3803   6 years vondreele fix print bug in twin refinement output a fix(?) to the alumina Uij …
(edit) @3792   6 years vondreele Add density to lst output
(edit) @3789   6 years toby fix transpose error for lattice constraints
(edit) @3760   6 years vondreele remove AwaveType?,PwaveType?,FwaveType? & MwaveType? from constraints …
(edit) @3756   6 years vondreele add an importer for edited NIST hb3a diffractometer (defunct?) fixes …
(edit) @3754   6 years vondreele begin work on incommensurate mag. structure factors fix problem of …
(edit) @3752   7 years vondreele more fixes to GetHistogramPhaseData?
(edit) @3751   7 years vondreele fix bug in GetHistogramPhaseData? for reflection generation.
(edit) @3747   7 years vondreele provide fix for missing reflection sets in LeBail? sequential refinements
(edit) @3737   7 years vondreele reorder descriptions in front of G2ctrlGUI to alpha order - now easier …
(edit) @3713   7 years toby constraint bug fix; comments
(edit) @3711   7 years toby major constraint update: move conflicting equivs to constraints; allow …
(edit) @3577   7 years vondreele delete MAXMAGN - not using it any more fix (maybe) mag constraints; …
(edit) @3573   7 years vondreele fix 2 bugs in vector rigid body stuff add setting 1 to setting 2 …
(edit) @3438   7 years vondreele g2strIO fix magnetic hkl extinctions in reflection generation remove …
(edit) @3392   7 years vondreele fix issues with multiphase refinements & multiphase plots, etc. move …
(edit) @3390   7 years vondreele fix issue with deleted phases in Restraints - they are now deleted …
(edit) @3377   7 years vondreele revise sequential refinement to retain previous runs & update those …
(edit) @3373   7 years toby make sequential refinement setting work like a global flag; add …
(edit) @3340   7 years vondreele make testDeriv py3 compatible fix problem with Reload draw atoms - mag …
(edit) @3311   7 years vondreele remove unused SytSym? argument from GetCSpqinel - not needed
(edit) @3286   7 years vondreele add modulation movies to structure drawings; makes gif files for both …
(edit) @3266   7 years vondreele change modulated wave type assignments so one for each kind of wave …
(edit) @3255   7 years toby add code to update phase parms from sequential fit
(edit) @3163   8 years vondreele fix typo in Tb neutron scattering factors; extra space fix lst output …
(edit) @3157   8 years vondreele add Lorentzian term 'Z' to CW profile instrument parameters - constant …
(edit) @3136   8 years vondreele make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
(edit) @3054   8 years vondreele fixes to MCSA gui routines; trap <3 atom RBs fix missing AtLookup? …
(edit) @3046   8 years toby label user-supplied & code-generated equivalences (constraints); …
(edit) @3000   8 years toby make the two frame version the trunk as we hit version 3000
(edit) @2840   8 years vondreele fix PDB importer & reimport atoms rework RB GUI - now shows just one …
(edit) @2770   8 years vondreele fix import new phase behavior - wasn't finishing properly fix HKL …
(edit) @2766   8 years vondreele add display of optional vertical lines to PlotXY (used for …
(edit) @2753   8 years vondreele minor shuffling about for atom constraints - no discernable impact …
(edit) @2752   8 years vondreele fix (again) a LeBail? bug on loading a new phase
(edit) @2750   8 years vondreele fix issues with adding new phase, forgetting to add atoms to it, and …
(edit) @2748   8 years vondreele Sigh, another LeBail? fix
(edit) @2746   8 years vondreele fix another Lebail bug dress up some formatting for mustrain & size …
(edit) @2743   8 years vondreele more Lebail fixes
(edit) @2741   8 years vondreele fix issues with LeBail? flags & Rietveld refinement
(edit) @2739   8 years vondreele comment out "other self-updating plots" - caused failures in GSASII.py …
(edit) @2735   8 years vondreele set default flight path = 20. in case FPATH0 missing from TOF Iparm …
(edit) @2732   8 years vondreele finish up LeBail? extraction option
(edit) @2728   8 years vondreele disable LeBail? stuff - messed up Rietveld.
(edit) @2727   8 years vondreele fix issue with formula volume in PDF creation block Lebail selection …
(edit) @2718   8 years vondreele implement LaBail? - not finished.
(edit) @2715   8 years vondreele put histogram numbers in sorted order for View LS parms remove some …
(edit) @2698   8 years vondreele work over sequentia fit stuff - allow all parameters shown in table to …
(edit) @2658   8 years toby fix problem reporting histogram with Unicode chars
(edit) @2633   8 years vondreele rename 'Rb' & 'wRb' as 'R-bkg' & 'wR-bkg'
(edit) @2616   8 years vondreele add Durbin-Watson statistic to refinement results for PWDR data some …
(edit) @2589   8 years vondreele Make Pawley dmin define limits for histograms upon refinement - do …
(edit) @2565   8 years vondreele more fixes to getCellEsd
(edit) @2564   8 years vondreele fix add element bug in PDF controls fix math error in getCellEsd
(edit) @2562   8 years vondreele more work on CellEsds?
(edit) @2560   8 years vondreele make A2Gmat return np.arrays put in spinners for Background & …
(edit) @2546   9 years vondreele cleanup of all GSASII main routines - remove unused variables, dead …
(edit) @2520   9 years vondreele remove unused & commented Srr fctr & deriv routines Mag moment …
(edit) @2495   9 years vondreele some cleanup of Data tab fix (!) crash after Refine for Costraints & …
(edit) @2483   9 years vondreele fix site symmetry issues for magnetic moments on special positions
(edit) @2481   9 years vondreele force Transform to delete nonmagnetic atoms if phase made magnetic & …
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