source: trunk/GSASIIspc.py

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Diff Rev Age Author Log Message
(edit) @4985   4 years vondreele fix mag sp gp special pos determination for P3m1 & P321 mag groups.
(edit) @4876   4 years toby fix cell offsets in CIF export
(edit) @4810   4 years vondreele fix depreciation warning in G2indx.findMV fix numpy round bug in …
(edit) @4651   5 years vondreele problem with "generalized" mustrain for R3 now fixed.The S301 term …
(edit) @4562   5 years vondreele remove extra equivalent positions from dist/angle list - needed %1. in …
(edit) @4526   5 years vondreele fix to incomm. moment display
(edit) @4510   5 years vondreele fix magnetic site sym bug
(edit) @4489   5 years vondreele further fixup of incommensurate mag moment drawings. Now correct.
(edit) @4488   5 years vondreele another try at incommensurate magnetic SF; fix bug in plotting mag moments.
(edit) @4485   5 years vondreele fix plotting of BNS centered modulated magnetic moment plotting
(edit) @4456   5 years vondreele fix bug in SytSym?
(edit) @4455   5 years toby fix and speed up the "Complete Molecule" command; w/o for mult calc bug
(edit) @4441   5 years vondreele cleanup of GenAtom? fix Dist Angle calcs for an imported phase with no …
(edit) @4440   5 years vondreele fix atom draw update problem when atoms not in unit cell2Arelated …
(edit) @4253   5 years vondreele changes to RMCProfile stuff short cut the find unique for P 1 space group
(edit) @4213   5 years toby multiple small changes to allow docs build under 3.x
(edit) @4175   6 years vondreele fix transform for abc* matrix transposed; fix rounding issue fro …
(edit) @4174   6 years vondreele mag ssg fixes
(edit) @4173   6 years vondreele mag ss fixes
(edit) @4170   6 years vondreele fix printing of symmetry operators on console for super symmetries
(edit) @4157   6 years vondreele fix symmetry constraints for 2(x), 2(y), 2(z) mag. modulations
(edit) @4156   6 years vondreele fix problem with Jabobean refinement of multiple histograms
(edit) @4027   6 years vondreele fix to non BNS centered magnetic space groups from Bilbao
(edit) @4019   6 years vondreele put directions for delete restraints in status bar; fix bug in G2spc
(edit) @3963   6 years vondreele change pylab to pyplot in fprime & absorb undo the addition of S301 to …
(edit) @3961   6 years vondreele set self.tutorialPath = '.\G2tutorial' if others fail. Don't know if …
(edit) @3848   6 years vondreele since id is a python routine which could be useful in debugging, …
(edit) @3830   6 years vondreele modify makeRing to allow optionally a multiplier on number of steps …
(edit) @3795   6 years vondreele fix space group & incommensurate space group displays for mag. …
(edit) @3768   6 years vondreele name fix for single crystal 1D plots remove ZigZag? & Block from …
(edit) @3765   6 years vondreele allow a selected data copy of 'newLeBail' flag - facilitates …
(edit) @3754   6 years vondreele begin work on incommensurate mag. structure factors fix problem of …
(edit) @3753   6 years vondreele fix run k-SUBGROUPSMAG bug
(edit) @3750   7 years vondreele remove editable combobox for super space group symbol input - now read …
(edit) @3745   7 years vondreele fix dmin problem in Unit Cells cell refinement, etc. add magnetic spin …
(edit) @3744   7 years vondreele add missing Pr mag form factors to atmdata remove G2spc.fixGray - not …
(edit) @3738   7 years vondreele fix mag form factor table so Ce & Ce+2 are both seen. Comment section …
(edit) @3737   7 years vondreele reorder descriptions in front of G2ctrlGUI to alpha order - now easier …
(edit) @3736   7 years vondreele modifications to allow Load Unit Cell command for incommensurate …
(edit) @3729   7 years vondreele make super group ComboBox? allow editing for nonOSX.
(edit) @3716   7 years vondreele implement new version of SUBGROUPS & k-SUBGROUPDMAG that return …
(edit) @3710   7 years vondreele fix issues about site sym & multilicity for mcif import of gray …
(edit) @3707   7 years vondreele fix mag site symmetries for certain cubics
(edit) @3706   7 years vondreele fix to magspgrp bug for F d' -3' fixes to some mag modulation symm rules
(edit) @3703   7 years vondreele refactoring of GetSSfxuinel
(edit) @3681   7 years vondreele change Panalytical importer to read multi xrdMeasurement blocks - can …
(edit) @3676   7 years vondreele fix magnetic modulation
(edit) @3658   7 years vondreele more fix of incommensurate bug fix of some mag mono transforms to …
(edit) @3657   7 years vondreele un do fix in version 3466 - broke all incommensurate structures add …
(edit) @3656   7 years vondreele skip P_A --> P_I conversion: fails add status bar note for Try …
(edit) @3654   7 years vondreele fix to bug if no atom types selected for mag atom check add code to …
(edit) @3625   7 years vondreele fix 2 bugs in mag. space group stuff correct Mag Structure tutorial name
(edit) @3621   7 years vondreele Modify Transform tool to allow setting spins & displaying operators …
(edit) @3619   7 years vondreele clear magData when a selection is made add row select --> mag space …
(edit) @3617   7 years vondreele fix mag space group counts fix k-SUBGROUPSMAG k-vec input fix lattice …
(edit) @3616   7 years vondreele change phase names etc. for magnetic structures to have the …
(edit) @3591   7 years vondreele work on FindNonstandard? for mag space groups enhance UseMagAtomDialog? …
(edit) @3589   7 years vondreele fixes to Bilbao mag symm stuff - now gets nonstd. sp.grp. correct with …
(edit) @3587   7 years vondreele further work on magnetic structures: now proper symmetry processing of …
(edit) @3585   7 years vondreele change Bilbao dialog to use fractions for kx,ky,kz (not decimals) - …
(edit) @3583   7 years vondreele fixes so orthorhombic mag space groups from Bilbao conserve axes - …
(edit) @3577   7 years vondreele delete MAXMAGN - not using it any more fix (maybe) mag constraints; …
(edit) @3575   7 years vondreele add table of alternate space group settings for orthorhombics remove …
(edit) @3568   7 years vondreele finish interface with k-SUBGROUPSMAG output - selection of space group …
(edit) @3565   7 years vondreele G2ctrls: change MultiFloatDialog? to accept bool arguments - maybe …
(edit) @3562   7 years vondreele remove stray print in G2pwdGUI add G2spc.TextGen? to make list of space …
(edit) @3561   7 years vondreele add Print operators option to SGMessageBox for showing operators on …
(edit) @3558   7 years vondreele more revisions to Transform - Bilbao list properly processed primed …
(edit) @3521   7 years vondreele fix In neutron scattering length info add MAXMAGN.py minor changes to …
(edit) @3465   7 years vondreele deal with export/import issues for mag cif files fix bug for new phase …
(edit) @3450   7 years vondreele put a check on existence of "dataWindow" before clearing it - line …
(edit) @3435   7 years vondreele make new routine GetSpGrpfromUser? & use it inGeneral & Transform fo …
(edit) @3434   7 years vondreele working magnetic extinction check routine w. reference & comments - works
(edit) @3433   7 years vondreele objectScanIgnore additions put in phase fro mag reflections better …
(edit) @3425   7 years vondreele use nxs = np.newaxis in G2spc. Add 2 functions for checking symm …
(edit) @3418   7 years vondreele move SGMagSpinBox from G2phsGUI to G2ctrlGUI add selection of spin …
(edit) @3400   7 years vondreele fix space group operator interpreter for magnetic mcif files (only …
(edit) @3399   7 years vondreele remove debug print from ApplyStringOpsMom?
(edit) @3398   7 years vondreele drawing reload (almost) works for magnetic structures - suspect for …
(edit) @3397   7 years vondreele fix Constraints problem when no histograms (or phases) display new BNS …
(edit) @3396   7 years vondreele set refList=False for a couple of calls to GetHistogramPhaseData? where …
(edit) @3393   7 years vondreele implement GUI to change BNS lattice centering for magnetic space …
(edit) @3390   7 years vondreele fix issue with deleted phases in Restraints - they are now deleted …
(edit) @3387   7 years vondreele fix to GetLittleGrpOps?
(edit) @3380   7 years vondreele Add several text blocks to tutorial listing & switch format to display …
(edit) @3379   7 years vondreele fix problem of bad space group symbol (no field spaces) found in cif file
(edit) @3340   7 years vondreele make testDeriv py3 compatible fix problem with Reload draw atoms - mag …
(edit) @3338   7 years vondreele fix SpnFlp? issues for mcif imports - had messed up mag structure …
(edit) @3336   7 years vondreele fix atom multiplicity doubling if centro & magnetic imported from cif …
(edit) @3335   7 years vondreele fix display of magnetic symmetry operators with colors ("Show spins")
(edit) @3334   7 years vondreele correct issues with import & display of incommensurate magnetic spin …
(edit) @3320   7 years vondreele implement new delt/sig subplot for PWDR & SASD plots - nvoked with 'w' …
(edit) @3317   7 years vondreele magnetic site symmetry restrictions on moments & magnetic site …
(edit) @3311   7 years vondreele remove unused SytSym? argument from GetCSpqinel - not needed
(edit) @3310   7 years vondreele still more magsym fixes
(edit) @3309   7 years vondreele remove debug prints!
(edit) @3308   7 years vondreele more fixes for mag site symmetry constraints
(edit) @3307   7 years vondreele provide print tool for magnetic space group operators that can be fed …
(edit) @3306   7 years vondreele remove a debug print & fix mag site sym problem
(edit) @3302   7 years vondreele mag sym fixes
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