source: trunk

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Diff Rev Age Author Log Message
(edit) @1098   12 years vondreele improve torsion & Ramachandran restraint plots - use picker to …
(edit) @1097   12 years vondreele mods to restraint GUI & LS output for restraints correct torsion & …
(edit) @1096   12 years vondreele oops - need the numpy random seed routine
(edit) @1095   12 years vondreele make seed %100000
(edit) @1094   12 years vondreele small correction on multi MC/SA
(edit) @1093   12 years vondreele better fix to random number start for multiprocessing
(edit) @1092   12 years vondreele remove GSASIIsolve - never will be used put back matrix rescaling for …
(edit) @1091   12 years toby randomize parallel processes for MC/SA
(edit) @1090   12 years vondreele complete 1st version of export PDB
(edit) @1089   12 years vondreele start on PDB exporter
(edit) @1088   12 years vondreele small tweak to data simulation - give it a "signature" of fakeness
(edit) @1087   12 years vondreele simulated CW powder data now complete with Poisson errors
(edit) @1086   12 years toby finish dummy (simulated) histogram
(edit) @1084   12 years toby installer uses xterm on GNOME shortcut
(edit) @1083   12 years vondreele no fix to multiprocess on linux - restore to previous
(edit) @1082   12 years vondreele multiprocess MC/SA fix?
(edit) @1081   12 years toby revise export menu; add multiple selection to G2gd.ItemSelector?
(edit) @1080   12 years toby revise export menu; add multiple selection to G2gd.ItemSelector?
(edit) @1079   12 years vondreele small changes to G2cif for macromolecular structures; make atom names …
(edit) @1078   12 years vondreele fix a single crystal blunder
(edit) @1077   12 years toby cleanup plot & svn bugs; set missing keywords; CIF export done; update docs
(edit) @1076   12 years vondreele again fix MC/SA window scroll behavior & small start on dummy histograms
(edit) @1075   12 years vondreele implement new March-Dollase term in MC/SA
(edit) @1074   12 years toby more CIF work
(edit) @1073   12 years vondreele change chebyschev background fxn to match what is in old GSAS. Much …
(edit) @1072   12 years vondreele fix distangle dialog reset
(edit) @1071   12 years vondreele change tolerance on RB atom matching; wasn't big enough
(edit) @1070   12 years vondreele fix MC/SA solution grid behavior
(edit) @1069   12 years toby finally a working CIF exporter (export mechanism needs configuring); …
(edit) @1068   12 years toby nearing end of CIF export
(edit) @1067   12 years toby CIF updates
(edit) @1066   12 years vondreele more MC/SA fixes
(edit) @1065   12 years vondreele add MC refinement to MC/SA - works
(edit) @1064   12 years vondreele a correction to MC/SA math
(edit) @1063   12 years vondreele change sf calc timing for MC/SA
(edit) @1062   12 years vondreele a better MC/SA? Still checking it.
(edit) @1061   12 years vondreele speedup for MCSA 3x faster
(edit) @1060   12 years vondreele mods to MC/SA stuff - some speedup done
(edit) @1059   12 years toby new license file; improve ValidatedTxtCtrl? & ScrolledMultiEditor?
(edit) @1058   12 years vondreele implement save of Pawley covariances for MC/SA
(edit) @1057   12 years toby reorg UserCalibrants? into ImageCalibrants?; Add trim (whitespace) …
(edit) @1056   12 years vondreele restore multiprocessing MCSA
(edit) @1055   12 years vondreele working MC/SA
(edit) @1054   12 years vondreele fix for RB plotting
(edit) @1053   12 years toby fix mask with no excluded regions
(edit) @1052   12 years vondreele fix to 64bit version - needed a SetFocus?() after MC/SA run in case …
(edit) @1051   12 years vondreele remove all mcsa fortran code - not needed replace 32-bit Windows …
(edit) @1050   12 years vondreele Add error dialog for needing LS run once before setting constraints.
(edit) @1049   12 years vondreele fix mask copying errors & missing image data items implement …
(edit) @1048   12 years toby fix About box
(edit) @1047   12 years toby change update for new windows; improve About box
(edit) @1046   12 years vondreele put in missing GSASIIpath & version finder
(edit) @1045   12 years vondreele fix Fourier map problems - didn't like Fo<0. use ErrorDialog? for some …
(edit) @1044   12 years vondreele provide example for form factor cif stuff (no new code)
(edit) @1043   12 years vondreele one more HKLF fix clear "Residuals" before processing histogram
(edit) @1042   12 years vondreele fixed HKLF data bug
(edit) @1041   12 years toby update Mac .so files
(edit) @1040   12 years vondreele rename file
(edit) @1039   12 years vondreele a few more cif fix ups an extra _pd_block_diffractogram_id removed …
(edit) @1038   12 years vondreele more work on residuals & cif files
(edit) @1037   12 years vondreele more residuals in cif fixes??
(edit) @1036   12 years vondreele fix a couple of mistakes & get SC to cif OK
(edit) @1035   12 years vondreele further adventures in residual reporting in cif files hId & pId must …
(edit) @1034   12 years toby fix Vic's bug?
(edit) @1033   12 years toby Fix Select tab menu buttons by getting unused Id values
(edit) @1032   12 years toby Use Q not q; only read .gpx files
(edit) @1031   12 years toby fix enabling of Refine menu
(edit) @1030   12 years vondreele mods to CIF export add residuals to histogram GUI save histogram …
(edit) @1029   12 years vondreele fix some things enCIFr whines about
(edit) @1028   12 years toby print/export distances & angles
(edit) @1027   12 years vondreele forgot a debug print
(edit) @1026   12 years toby now with distances & angles
(edit) @1025   12 years vondreele fix excluded region problems
(edit) @1024   12 years vondreele
(edit) @1023   12 years toby last size fix
(edit) @1022   12 years toby fix error on adding an atom to a new phase before Draw Options are …
(edit) @1021   12 years toby more digits in size
(edit) @1020   12 years toby fix Matt's path bug; minor disagl cleanup
(edit) @1019   12 years vondreele few more fixes to exclude editing stuff
(edit) @1018   12 years vondreele a tweak of the excluded regions stuff
(edit) @1017   12 years vondreele implement excluded regions - 1st attempt
(edit) @1016   12 years vondreele remove PawleyDelete? - not used fix floating point error in vcov matrix …
(edit) @1015   12 years vondreele allow delete of individual Pawley reflections
(edit) @1014   12 years vondreele background peak & Debye terms added to cif
(edit) @1013   12 years vondreele add output of profile coeff, background & size/mustrain/strain parms. …
(edit) @1012   12 years vondreele add svn header to G2cif.py and GSASIIpath to imports add DEBUG to skip …
(edit) @1011   12 years vondreele fix updates of atom parms when RB parms are modified. Edit Pawley tutorials
(edit) @1010   12 years toby more CIF work
(edit) @1009   12 years vondreele auto peak search for TOF - no duplicates either small amendment to …
(edit) @1008   12 years vondreele make Auto peak search eliminate duplicates
(edit) @1007   12 years vondreele "improved" Pawley extraction by flipping negative intensitied to 1/2 …
(edit) @1006   12 years toby fix Bob's bug when multiple HKL files are read; pickup shelx …
(edit) @1005   12 years vondreele removed try/except for set focus items fixed 'N' & 'P' key behavior …
(edit) @1004   12 years toby recapture focus on plot window so keyboard commands work
(edit) @1003   12 years vondreele put Hessian eds calc back where they were (maybe a bit cleaner now).
(edit) @1002   12 years toby fix page type
(edit) @1001   12 years vondreele tweak MC/SA
(edit) @1000   12 years vondreele small fit to export hkl some fixes to phase tab startup.
(edit) @999   12 years toby cleanup: remove 2.6 binaries
(edit) @998   12 years vondreele make widths correct in Export HKLs from PWD data
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