source: trunk/GSASIIpwd.py

Revision Log Mode:


Legend:

Added
Modified
Copied or renamed
Diff Rev Age Author Log Message
(edit) @4268   21 months vondreele fixes to RMCProfile - GSAS-II stuff. works with x-ray F(Q), etc.
(edit) @4266   21 months toby add patches for Python 2.7
(edit) @4265   21 months vondreele add bond direction plots to RMCProfile results
(edit) @4264   21 months vondreele Add swap atoms to RMCProfile stuff Handle vacancies
(edit) @4263   21 months vondreele major revision of RMCProfile GUI - now shows in data window instead of …
(edit) @4254   22 months vondreele more RMCProfile setup stuff added
(edit) @4253   22 months vondreele changes to RMCProfile stuff short cut the find unique for P 1 space group
(edit) @4248   22 months vondreele changes to RMCProfile GUI now saves settings diff curve for G(R) plot …
(edit) @4236   22 months vondreele remove dependence on fullrmc existing rearrange RMC options fixes to …
(edit) @4221   22 months vondreele more RMCProfile enhancements
(edit) @4220   22 months vondreele swap order of binds in ValidatedTextCtrl? - might work better?routines …
(edit) @4210   23 months vondreele fix bad DifC name in MakeInst? Add start on MakeRMCPdat routine - makes …
(edit) @4206   23 months vondreele add importer for phase from RMCProfile rmc6f file - structure result …
(edit) @4204   23 months vondreele Fix bad code in MakeBack?
(edit) @4202   23 months vondreele fix check for chebyschev-1 in RMC MakeBack? routine.
(edit) @4201   23 months vondreele add new chebyschev-1 background function; matches that from old gsas. …
(edit) @4200   23 months vondreele Add visualization of RMCProfile results, i.e. G(R), S(Q), partials, …
(edit) @4199   23 months vondreele enhance MakeRMC6f for RMCProfile
(edit) @4196   23 months vondreele ad fullrmc dialog for set up comment out & skip W plot update for …
(edit) @4195   23 months vondreele add a find utility to GSASIIfiles for finding a file within a …
(edit) @4194   2 years vondreele fix bug in absorption calc for TOF fix bug if Cancel from default …
(edit) @4193   2 years vondreele fix comment lines so easier to see in spyder outline use a dummy …
(edit) @4192   2 years vondreele fix OnFileReopen?; broke when some file were deleted beforehand Some …
(edit) @4191   2 years vondreele put in dummy phase tab & menu for fullrmc partial implementation of …
(edit) @4179   2 years vondreele a bit more speedup for polarization correction
(edit) @4166   2 years vondreele fixes to Dysnomia for TOF data
(edit) @4142   2 years vondreele fix panalytical reflectometry mporter - now converts 2theta to q some …
(edit) @4102   2 years vondreele add transfer of flat background to images corrected for 1/dist2 …
(edit) @4080   2 years vondreele fix to ellipsoid size math & GUI revisions
(edit) @4048   2 years vondreele Use extra reflections generated by Dysnomia in forming new Fourier map
(edit) @4046   2 years toby remove histograms that are not added to a phse from the Seq Ref …
(edit) @4030   2 years vondreele fix defaults for ka1-Ka2 powder data to be Bragg-Brentano for both GUI …
(edit) @4021   2 years toby implement filter for screen messages; start to replace print() with …
(edit) @4002   2 years vondreele finish implementation of generating added reflections for Dysnomia. …
(edit) @4001   2 years toby add SeqRes? section to scriptable; minor docs cleanup; show cell even …
(edit) @3999   2 years toby reorg PDF computation/save as non-GUI code, add PDF to scriptable, doc …
(edit) @3995   2 years vondreele Add save of indexed peaks to csv file fix neutron bugs in MEM Dysnomia code
(edit) @3994   2 years vondreele clean finish if Dysonmia fails
(edit) @3993   2 years vondreele fix typo in Dysnomia prep of .mem file
(edit) @3991   2 years vondreele process Dysnomia reflection table result saving new Fosq & phase in …
(edit) @3990   2 years vondreele MEM Dysnomia now works but can be uncontrolled. No feedback into …
(edit) @3959   2 years toby Bugs from Ivo: scripting & seq. table plotting; script addition for …
(edit) @3906   3 years toby implement fixed backgound file in Riteveld Fit; show Rietveld & peak …
(edit) @3848   3 years vondreele since id is a python routine which could be useful in debugging, …
(edit) @3778   3 years vondreele correct calculation of FWHM for TOF data & fix the alp values in the …
(edit) @3774   3 years vondreele fix super indexing problem in transposeHKLF fix reflection generation …
(edit) @3712   3 years vondreele add new configuration item: PDF_Rmax maximum radius for G(r) …
(edit) @3565   3 years vondreele G2ctrls: change MultiFloatDialog? to accept bool arguments - maybe …
(edit) @3561   3 years vondreele add Print operators option to SGMessageBox for showing operators on …
(edit) @3500   3 years vondreele undo that mask fix - wrong thing to do.
(edit) @3496   3 years vondreele fix issues with masks & powder patterns remove stray print
(edit) @3444   3 years vondreele fix problem of masked xdata values as limits to linspace for …
(edit) @3435   3 years vondreele make new routine GetSpGrpfromUser? & use it inGeneral & Transform fo …
(edit) @3231   4 years vondreele fix bug in IndexPeaks? display fix import pypowder issue in G2math fix …
(edit) @3164   4 years vondreele fix neutron resonant scattering factor calcs. - neglected constant …
(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) @3070   4 years vondreele implement use of background pattern for PWDR data. Used for plot & …
(edit) @3000   4 years toby make the two frame version the trunk as we hit version 3000
(edit) @2849   4 years vondreele change TOF instrument Calibration weighting
(edit) @2838   4 years vondreele add a bit of printing to LS & show no. of penalty fxns
(edit) @2808   5 years vondreele small fixes to reflectometry calcs. fix Hessian restraint bug - wrong …
(edit) @2802   5 years toby updates for doc build
(edit) @2800   5 years vondreele fix a simulation output format use a couple of wx.CallAfter? to fix …
(edit) @2786   5 years vondreele fix seq REFD results display fix 'Rough' problems
(edit) @2785   5 years vondreele add a fit all option for REFD patterns
(edit) @2783   5 years vondreele include imports/G2rfd_xye.py implement instrument smearing of …
(edit) @2777   5 years vondreele implement import of getPDFx G(R) files NB: these have no matching PWDR …
(edit) @2776   5 years vondreele add a number of materials to Substances.py implement multilayer …
(edit) @2774   5 years vondreele implement MC/SA for reflectometry more image importer speed ups
(edit) @2772   5 years vondreele do some speedups of image tiff readers Modify PlotXY so it sort of …
(edit) @2767   5 years vondreele make clearer H->R & R->H transformation labels implement generic unit …
(edit) @2763   5 years vondreele add plotting of reflectometry model scattering profiles add magnetic …
(edit) @2761   5 years vondreele fix parameter bugs for reflectometry add more substances
(edit) @2758   5 years vondreele implement L-BFGS-B and basinhopping (preliminary) minimizers for …
(edit) @2757   5 years vondreele workable reflectometry fitting by Levenberg-Marquart least squares.
(edit) @2755   5 years vondreele extend Export HKLs for powder data to include most all columns in …
(edit) @2754   5 years vondreele fix "off-by-one" problem in powder profiles; calc missed last point - …
(edit) @2740   5 years vondreele fix issue with optimizing PDFs without Sample Bkg. Finish implementing …
(edit) @2717   5 years vondreele
(edit) @2689   5 years vondreele improve DepCorr? needed dist2/1000 - no rescaling needed - now almost …
(edit) @2688   5 years vondreele sequential PDF peak fitting now implemented
(edit) @2681   5 years vondreele fix missing 'Oblique' problem in G2imgGUI fix inner 2-theta limit …
(edit) @2660   5 years vondreele fix issues with new pdf creation & fully trap missing elements problem …
(edit) @2659   5 years vondreele make lab data (2 x-ray wavelengths) instrument default …
(edit) @2652   5 years vondreele fix problem in fit background when no peaks in peaklist
(edit) @2651   5 years vondreele in peakfit add binsperFWHM calc for dach peak fit with warnings if too …
(edit) @2630   5 years vondreele change '(Running)' to Pause' in auto integrate dialog remove remaining …
(edit) @2614   5 years toby add PDF correction optimizer; fix vdWaals bug after adding element in …
(edit) @2600   5 years vondreele remove comment about mag structures under construction set powder peak …
(edit) @2597   5 years vondreele Increase peak bases to 100*sig - NB:no discernable impact on speed
(edit) @2595   5 years vondreele Add spinner to the Flat Bkg correction for PDF
(edit) @2582   5 years vondreele fix issue with Make PDF & 11BM data - 'formula' found but not expected …
(edit) @2567   5 years vondreele fix to export CIF sym. op. problem use ValidatedTxtctrl? for all values …
(edit) @2561   5 years vondreele add Rmax to PDF Controls; default = 100.; will not be exact PDF always …
(edit) @2546   5 years vondreele cleanup of all GSASII main routines - remove unused variables, dead …
(edit) @2522   5 years vondreele Do Ivo's changes & some more work on mag derivatives.
(edit) @2519   5 years vondreele bug fix in PDF calculations add option to suppress G(0) ringing in PDF
(edit) @2493   5 years vondreele add display of phase weight fraction to DData tab
(edit) @2481   5 years vondreele force Transform to delete nonmagnetic atoms if phase made magnetic & …
Note: See TracRevisionLog for help on using the revision log.