source: trunk/GSASIIstrIO.py

Revision Log Mode:


Legend:

Added
Modified
Copied or renamed
Diff Rev Age Author Log Message
(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 …
(edit) @2565   5 years vondreele more fixes to getCellEsd
(edit) @2564   5 years vondreele fix add element bug in PDF controls fix math error in getCellEsd
(edit) @2562   5 years vondreele more work on CellEsds?
(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) @2520   5 years vondreele remove unused & commented Srr fctr & deriv routines Mag moment …
(edit) @2495   5 years vondreele some cleanup of Data tab fix (!) crash after Refine for Costraints & …
(edit) @2483   5 years vondreele fix site symmetry issues for magnetic moments on special positions
(edit) @2481   5 years vondreele force Transform to delete nonmagnetic atoms if phase made magnetic & …
(edit) @2478   5 years vondreele work up to magnetic structure factor calcs.
(edit) @2474   5 years vondreele fix spin inversion plot & some refine list issues
(edit) @2473   5 years vondreele work on magnetic structures - import from EXP, plotting, LS refine …
(edit) @2450   5 years vondreele fix error in matrix in getCellEsd & RetDistAngle? Add new atom drawing …
(edit) @2448   5 years vondreele fix error in getCellEsd - bad v*mat*v inner product. Cell esds now OK
(edit) @2405   5 years vondreele fix missing 'Modulated' key problem
(edit) @2401   5 years vondreele begin adding magnetism; change space group fortran code modify …
(edit) @2245   5 years vondreele add a line to the layer GUI informing lack of refinement capability …
(edit) @2184   6 years vondreele fix problems in adding atoms, etc for 'faulted' phases in the regular …
(edit) @2156   6 years vondreele one more ':' to ';' remove Sample displ x & y from TOF
(edit) @2155   6 years vondreele fix bug - Mustrain: should be Mustrain; everywhere
(edit) @2154   6 years vondreele remove range restriction on LGmix - inhibited doing refinements do …
(edit) @2110   6 years vondreele add menu item for global setting of wave vary parameters - TBD split …
(edit) @2070   6 years vondreele remove extraneous argument from G2mth.posFourier work on ZigZag/Block?
(edit) @2064   6 years vondreele more fixed to SS modulation display & Refine listing
(edit) @2062   6 years vondreele exclude non variable SS parms from constraint lists define ZigZag? & …
(edit) @1996   6 years vondreele fix Fade problem ModulationDeriv? work twin sf error fixed
(edit) @1978   6 years vondreele fix to update reflections in HKLplot remove ZigZag? from incommensurate …
(edit) @1956   6 years vondreele fix (again) fill unit cell, dynamic SS drawing & GenAtom? issues - now …
(edit) @1954   6 years vondreele add print line whwn lambda is changed in Levenberg-Marquardt …
(edit) @1944   6 years vondreele add G2HistDataDialog for editing e.g. orientation angles over all …
(edit) @1923   6 years vondreele further twin work
(edit) @1918   6 years vondreele further mods on twins
(edit) @1917   6 years vondreele better handling of nonmerohedral twins
(edit) @1915   6 years vondreele start on riding constraints - works for atom frac,x,y,z; skipping u's …
(edit) @1910   6 years vondreele fix reading run-on numbers in Shelx HKLF 4 files implement all I/O for …
(edit) @1897   6 years vondreele fix unused histogram bug in G2strIO, uncomment dFdbab lines (they …
(edit) @1896   6 years vondreele add auto constraint for TwinFr? sum = 1.0 fix TwinFr? derivative - now …
(edit) @1894   6 years vondreele Twins & Flack parameter can't exist together - make each exclusive …
(edit) @1891   6 years vondreele modify Twin GUI - single refinement flag all derivatives OK except …
(edit) @1887   6 years vondreele default new twin to inversion twin - usual case fix twin results …
(edit) @1886   6 years vondreele refactor StructureFactor2 & StructureFactorDerv? for twinning - deriv …
(edit) @1884   6 years vondreele remove some unused imports add merohedral/pseudomerohedral Twin Laws …
(edit) @1876   6 years vondreele Flack fix
(edit) @1875   6 years vondreele add Flack parameter to GUI (commented out for now)
(edit) @1861   6 years vondreele fix missing data error messages
(edit) @1857   6 years vondreele worki on derivatives - Fix Uij derivative (i!=j)
(edit) @1852   6 years vondreele addmtexture analysis tutorial to list in G2ctrls remove Clear Texture …
(edit) @1843   6 years vondreele put ';' in Debye fxn background terms (was ':') fix mask issue with …
(edit) @1842   6 years vondreele typo! not setRef should be seqRef
(edit) @1841   6 years vondreele small fix in ExportCells? seqRefine now ignores phase texture
(edit) @1820   7 years vondreele fix issues in reading powder peak lists (since TOF added) force reload …
(edit) @1815   7 years vondreele revise MovePatternTreeToGrid? to have PickId? set near top & not in …
(edit) @1813   7 years vondreele revise GSAS-II exception handling - traps user aborts & I hope the bad …
(edit) @1805   7 years toby fix bug on with unused constraints and with chained equivalences; …
(edit) @1800   7 years vondreele show no. space group extinct reflections in HKLF data - rejected from …
(edit) @1782   7 years vondreele fix display of fixed wavelength selection show no. user rejected refl. …
Note: See TracRevisionLog for help on using the revision log.