source: trunk

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Diff Rev Age Author Log Message
(edit) @1669   7 years vondreele trap IndexErrors? in GetTypeName? & sortArray add FindMolecule? to G2math …
(edit) @1668   7 years vondreele Attempt at a molecule builder in Atoms - seems to work in some cases
(edit) @1667   7 years vondreele fix bug in load mask ignore thresholds inner/outer image limits now in …
(edit) @1666   7 years vondreele change strain tensor elements in seq. fit to have ';' instead of ':'
(edit) @1665   7 years vondreele fix image calibrate so dist can be fixed & wave unknown
(edit) @1664   7 years vondreele fix rhombohedral lattice constraints
(edit) @1663   7 years vondreele change default single crystal extinction coeff to 1e-7 from 1e-10 fix …
(edit) @1662   7 years vondreele change weighting in diffractometer constant calibration to include d*2 …
(edit) @1660   7 years vondreele fix crash in viewing PWDR data Limits add new item to PWDR data …
(edit) @1659   7 years vondreele get fourier density min/max & keep them enter fourier min/max into cif file
(edit) @1658   7 years vondreele correct bugs in single crystal cif output - now good for TOF data …
(edit) @1657   7 years toby migrate help from G2grid; set instparms in Powder imports; seach for …
(edit) @1656   7 years vondreele show succession of 3D HKL plots when switching histograms with arrow keys
(edit) @1655   7 years vondreele add a Show/Hide? command in the phase/data menu add importer for ISIS …
(edit) @1654   7 years vondreele update image calibration tutorial
(edit) @1653   7 years vondreele allow all image controls to be varied in calibration and recalibration …
(edit) @1652   7 years vondreele add .gsa to default GSAS powder file extensions floors (0.0001) for …
(edit) @1649   7 years vondreele add all TOF tutorial directories & data into new structure
(edit) @1646   7 years vondreele allow search for negative density peaks in charge flip and Fourier …
(edit) @1645   7 years vondreele define a mapDataType? for the data type used to make the …
(edit) @1644   7 years vondreele setting up image calibration to allow more control over refined parameters
(edit) @1643   7 years vondreele fix input of TOF hkl data fix bond angle calculations fix 2D & 3D hkl …
(edit) @1639   7 years vondreele remove a couple of error messages from G2math. implement use of …
(edit) @1638   8 years vondreele remove status bar from restraint pages. Wasn't used & failed for …
(edit) @1637   8 years vondreele fixes to peak indexing routines; new Inst argument for getHKLpeak …
(edit) @1636   8 years vondreele modulation constraints for mono & ortho are now OK.
(edit) @1635   8 years vondreele modulation functions & constraints
(edit) @1634   8 years vondreele Add input for CHESS MedOptics? D1 CCD detector tiff files
(edit) @1633   8 years vondreele fix wx 3.0.x problem with Size on Progress bars in G2phsGUI & G2pwdGUI …
(edit) @1632   8 years vondreele Add new importer for RALF weird ALT data
(edit) @1631   8 years toby fix seq ref table for older .gpx files
(edit) @1630   8 years vondreele add export routine for tables of x,y0,y1,y2,... for multiple powder …
(edit) @1629   8 years vondreele fix 1st time atom draw problems
(edit) @1628   8 years vondreele fix problem with U/D offset of SASD plots; L/R worked OK.
(edit) @1627   8 years toby fixes to seq results display & update tutorials
(edit) @1626   8 years vondreele Changed "Transform atom " to "Transform draw atom" to fix menu problem …
(edit) @1625   8 years vondreele add a parameter to result from G2stIO.GetPhaseData? add modulation …
(edit) @1624   8 years toby update seq tutorial
(edit) @1623   8 years vondreele remove stray prints double up modulation plot set roll of 4D map to …
(edit) @1622   8 years vondreele add 4D charge flipping - works to give 3D structure; only enabled for …
(edit) @1621   8 years vondreele fix deleted powder pattern error
(edit) @1620   8 years vondreele histoName should be HistName? in GGASII.py line 1556 missing comma in …
(edit) @1619   8 years toby add columnsorter for hetrogeneous seq ref; reorg to start moving …
(edit) @1618   8 years vondreele fix space group print in shelx export fix errors when data is deleted …
(edit) @1617   8 years toby add tabs to reflection page
(edit) @1616   8 years vondreele oops forgot to remove a raise Exception
(edit) @1615   8 years vondreele more work on incommensurate wave input to LS fix FillAtomLookup?
(edit) @1614   8 years vondreele Fix PDF plots & PDF Controls window issue SS names now fixed LS input …
(edit) @1613   8 years vondreele missing menu items in PDF controls trap PDF plotting if no PDF to plot …
(edit) @1612   8 years vondreele Set up SS atom defaults fix "config" error
(edit) @1611   8 years vondreele revision to GSASII.BAT - new citation for small angle allow super …
(edit) @1610   8 years toby fix atom pointer reference
(edit) @1609   8 years toby more work on phase rename: reflection lists
(edit) @1608   8 years vondreele fix save images problem for structures & 3D reciprocal space plots
(edit) @1607   8 years vondreele fix directory problem when saving 3D reciprocal space views as e.g. jpeg
(edit) @1606   8 years vondreele more FillAtomLookUp? errors a few more orthorhombic SS symbols some …
(edit) @1605   8 years toby add code to prevent blank phase names
(edit) @1604   8 years vondreele make modulation wave maps fix atom index bugs begin modulated …
(edit) @1603   8 years vondreele fix typo
(edit) @1602   8 years vondreele fix SaveIntegration? - wrong default for Index Peaks List add some more …
(edit) @1601   8 years vondreele remove some more (3+2) & (3+3) supersymmetry stuff begin …
(edit) @1600   8 years vondreele atom ids in G2obj
(edit) @1599   8 years vondreele rationalize SS, RB & normal atom data; atId is after U23 followed by …
(edit) @1598   8 years vondreele insure super lattice reflection set is unique reflections only fix …
(edit) @1597   8 years vondreele Incommensurate Pawley refinement works, including refinement of …
(edit) @1596   8 years vondreele some bug fixes
(edit) @1595   8 years vondreele change ValEsd? to round at 3.16228 =sqrt(10); same as old GSAS add mod. …
(edit) @1594   8 years vondreele begin Pawley refinement stuff for incommensurate structures Pawley SS …
(edit) @1593   8 years vondreele make ifX20 a G2frame variable add Progress bar to findMV force …
(edit) @1592   8 years vondreele finish modulation vector determination - use so.brute - slow but works …
(edit) @1591   8 years toby fix progress dialog problems; remove cruft from GSASII.BAT
(edit) @1590   8 years toby update grid cell editor for wx2.9+ change (see …
(edit) @1589   8 years toby 2 bugs: import phase w/invalid element; prevent 3 overlapped buttons …
(edit) @1588   8 years toby fix error on save w/o Controls tree item
(edit) @1587   8 years vondreele use successive approx. to get d from TOF allow sorting on …
(edit) @1586   8 years vondreele another sqrt error trapped
(edit) @1585   8 years vondreele remove Pwr from FitPeaksZ, SSZ & T - wasn't used put in derivatives …
(edit) @1584   8 years toby add arrows
(edit) @1583   8 years toby cleanup masks before integration; add zoom buttons to mpl window; …
(edit) @1582   8 years vondreele revamp cell refinement in Unit Celle List fix peak indexing in plots & …
(edit) @1581   8 years vondreele fix problem editing R3cR lattice parameters - incorrect angle index …
(edit) @1580   8 years toby Add ignore-threshold mask load; start on hetrogeneous seqref table display
(edit) @1579   8 years toby revamp masks GUI
(edit) @1578   8 years vondreele add wx.Yield in RefineBox? refactor indexing for normal & superlattice …
(edit) @1577   8 years toby add call after to avoid crash on delete mask
(edit) @1576   8 years toby add scroll for masks; fix up image import after GPX/image file move
(edit) @1575   8 years vondreele remove "s from %1 in GSASII.BAT file.
(edit) @1574   8 years toby import PWDR parms when importing from GPX
(edit) @1573   8 years vondreele missing import traceback; real error on Super=None now fixed messed up …
(edit) @1572   8 years vondreele complete SS indexing, apply hklm extinction rules cleanup indexing, …
(edit) @1571   8 years vondreele fix typos in small angle tutorials add menu with copy & reset to …
(edit) @1570   8 years vondreele fix to G2strIO for space group output. finish interpretation of super …
(edit) @1569   8 years vondreele Make 222, mm2, m2m & 2mm SS work. Fill some SS choices
(edit) @1568   8 years vondreele revise super space group to reflect latest table of unique SS groups …
(edit) @1567   8 years vondreele fixups of some tetragonals & hexagonals - now confirmed by B. …
(edit) @1566   8 years toby move debug invovation after parse of most routines; remove traceback …
(edit) @1565   8 years vondreele super symmetry stuff - all complete except orthorhombic
(edit) @1564   8 years vondreele fix display of space group stuff mode work on super symmetry
(edit) @1563   8 years toby manage with IPython 0.12 from EPD
(edit) @1562   8 years vondreele wrong sign on Aij+Dij
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