source: trunk/GSASIIlattice.py

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Diff Rev Age Author Log Message
(edit) @4268   5 years vondreele fixes to RMCProfile - GSAS-II stuff. works with x-ray F(Q), etc.
(edit) @4248   5 years vondreele changes to RMCProfile GUI now saves settings diff curve for G(R) plot …
(edit) @4213   5 years toby multiple small changes to allow docs build under 3.x
(edit) @4195   6 years vondreele add a find utility to GSASIIfiles for finding a file within a …
(edit) @4175   6 years vondreele fix transform for abc* matrix transposed; fix rounding issue fro …
(edit) @3888   6 years vondreele provide contour plot (not finished yet) on structure drawing
(edit) @3801   6 years vondreele combine cell2AB & Gmat2AB in G2lat fixes to mag. str. fctr. math. …
(edit) @3783   6 years vondreele fix Bruker read problem - checked with 1 & 2 block RAW 1.01 files add …
(edit) @3774   6 years vondreele fix super indexing problem in transposeHKLF fix reflection generation …
(edit) @3736   7 years vondreele modifications to allow Load Unit Cell command for incommensurate …
(edit) @3720   7 years toby correct lattice docs; try new IPython 1st for IPyBreak
(edit) @3716   7 years vondreele implement new version of SUBGROUPS & k-SUBGROUPDMAG that return …
(edit) @3686   7 years vondreele install new use of Bilbao site - call SUBGROUPS for making subgroup …
(edit) @3685   7 years vondreele Add progress bar for processing k-SUBGROUPSMAG results - it does take …
(edit) @3659   7 years vondreele apparent fix to P_A 21/c --> P 21/c mono transform; loose mag face …
(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) @3646   7 years vondreele modify UseMagAtomDialog? to have ifOK option - only OK button G2phsGUI) …
(edit) @3638   7 years vondreele implement a count of unique magnetic atoms for each result from …
(edit) @3636   7 years vondreele Add BNS sub 'I' to possible axes list Add Magnetic-IV to tutorial list …
(edit) @3633   7 years vondreele extend Unit Cells List Bravais lattice choices to include Ammm and …
(edit) @3622   7 years vondreele fix for P2221 problem - shift of 1/400 needed
(edit) @3621   7 years vondreele Modify Transform tool to allow setting spins & displaying operators …
(edit) @3617   7 years vondreele fix mag space group counts fix k-SUBGROUPSMAG k-vec input fix lattice …
(edit) @3596   7 years vondreele fix OnTransform? for magnetic phases to give correct atom sites/symmetry
(edit) @3594   7 years vondreele fix vector problem in FindNonstandard? that messed up nonstandard atom …
(edit) @3591   7 years vondreele work on FindNonstandard? for mag space groups enhance UseMagAtomDialog? …
(edit) @3590   7 years vondreele make some definitions of missing histogram varbs sort out …
(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) @3586   7 years vondreele rename MiltiFloatDialog? to MultiDataDialog? - better now that it does …
(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) @3579   7 years vondreele fix transformation error for mag cells disable formation of magnetic …
(edit) @3568   7 years vondreele finish interface with k-SUBGROUPSMAG output - selection of space group …
(edit) @3474   7 years vondreele remove wx.Validator_IsSilent(): wx.Bell() from 2 places in G2ctrlGUI; …
(edit) @3406   7 years vondreele fix Transform to create correct(?) constraints between lattices, atom …
(edit) @3403   7 years vondreele fix a deleted phase problem in powder plots fix uaniso transformation …
(edit) @3402   7 years vondreele fix missing 'linescan' problem in old files fix cell/atom …
(edit) @3346   7 years vondreele fix the 1,1,1,90,90,90 problem for lattice parm default - 2 places
(edit) @3136   8 years vondreele make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
(edit) @3103   8 years vondreele show seq. result in structure drawing - steps thru histograms changing …
(edit) @3097   8 years vondreele fix origin shift transformation & vec,matrix, vec transformations; now …
(edit) @3092   8 years vondreele change # decimal places on pseudovariables from 3 to 5 fix bug on …
(edit) @3000   8 years toby make the two frame version the trunk as we hit version 3000
(edit) @2802   8 years toby updates for doc build
(edit) @2775   8 years toby make autoint polltime adjustable
(edit) @2764   8 years toby formatting changes for docs; add debug to conf.py
(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) @2512   9 years vondreele remove 'constraint' and 'restraint' from Consraints & Restraints tabs …
(edit) @2486   9 years vondreele fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4) …
(edit) @2484   9 years vondreele fix transform to properly move magnetic moments (if space group is not …
(edit) @2482   9 years vondreele allow atom constraints between phases
(edit) @2481   9 years vondreele force Transform to delete nonmagnetic atoms if phase made magnetic & …
(edit) @2480   9 years vondreele add make magnetic phase to General/Transform? option trap missing rigid …
(edit) @2476   9 years vondreele Add new feature to structure plots - display an hkl plane or stack of …
(edit) @2473   9 years vondreele work on magnetic structures - import from EXP, plotting, LS refine …
(edit) @2470   9 years vondreele magnetic structure editing/drawing work - includes site symm restrictions
(edit) @2430   9 years vondreele force limits from d-min to be within allowed range & less than 168.5 …
(edit) @2369   9 years vondreele revisions to inverse pole figure calcs - now close to correct symmetry
(edit) @2367   9 years vondreele add display of inverse pole figure for each histogram - works but are …
(edit) @2233   9 years vondreele force transposed phase atoms to be in unit cell modify structure plot …
(edit) @2232   9 years vondreele fix atom transform problem with incomplete structures
(edit) @2228   9 years vondreele fixes to Transform of unit cell contents
(edit) @2219   9 years vondreele allow fractions in transformation matrix/vector elements fix cell …
(edit) @2218   9 years vondreele work on cell transformations - fills new cell with unique atom set, …
(edit) @2212   9 years vondreele Implement 'abc*' as one of the 'Common' cell transformations. …
(edit) @2154   9 years vondreele remove range restriction on LGmix - inhibited doing refinements do …
(edit) @2147   9 years vondreele handle TOF profile type=2 iparm files (e.g. for GEM) implement …
(edit) @2146   9 years vondreele improve HKL transformation; include set of common choices & trap failures
(edit) @2144   9 years vondreele Merge finished - all Laue groups (1/-1) checked OK
(edit) @2143   9 years vondreele fix cif UIJ order of keys - values OK work on hkl merge all but 321 & …
(edit) @2140   9 years vondreele tighten up zclip for zone 3D hkl plots show transformation rule on …
(edit) @2139   9 years vondreele fix multiple image problem in clibration/display, etc. more Laue …
(edit) @2138   9 years vondreele Add a Use data menu item in the phase Data tab to allow global …
(edit) @2136   9 years vondreele fix indexing problem in 32 bit versions - Skip in ProgressDialog? …
(edit) @2135   9 years vondreele more fixes to peak exports to get correct FWHM refactor Merge GUI
(edit) @2131   9 years vondreele revise Laue group lists
(edit) @2129   9 years vondreele revisions to FWHM calculations - some math errors fixed implement …
(edit) @2126   9 years vondreele add laueUnique to G2lattice for reindexing hkls to just unique Laue …
(edit) @2120   9 years vondreele Add plotting of 2D modulation vector result (a0g) for monoclinic. Trap …
(edit) @2038   10 years vondreele add betaij2Uij to G2lattice revisions to SS structure factor calcs. …
(edit) @2022   10 years vondreele fixes to TOF powder indexing & incommensurate structures
(edit) @1999   10 years vondreele
(edit) @1947   10 years vondreele do export of pole figures & inverse pole figures as csv files (can be …
(edit) @1945   10 years vondreele fix another new histo in new phase error some cleanup in texture …
(edit) @1820   10 years vondreele fix issues in reading powder peak lists (since TOF added) force reload …
(edit) @1793   10 years vondreele a few more corrections to texture stuff
(edit) @1792   10 years vondreele remove Exceptions from seqRefine; now returns & makes Message dialog …
(edit) @1773   10 years vondreele provide sig,gam & FWHM in export of PWDR reflection set as csv & txt …
(edit) @1766   10 years vondreele correct old LANSCE/HIPD import to give correct Omega, chi & phi from …
(edit) @1598   10 years vondreele insure super lattice reflection set is unique reflections only fix …
(edit) @1597   10 years vondreele Incommensurate Pawley refinement works, including refinement of …
(edit) @1596   11 years vondreele some bug fixes
(edit) @1594   11 years vondreele begin Pawley refinement stuff for incommensurate structures Pawley SS …
(edit) @1587   11 years vondreele use successive approx. to get d from TOF allow sorting on …
(edit) @1585   11 years vondreele remove Pwr from FitPeaksZ, SSZ & T - wasn't used put in derivatives …
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