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Diff Rev Age Author Log Message
(edit) @1112   8 years toby corrections example; expand docs
(edit) @1111   8 years vondreele small change to FF calc in GSASIIstrMath.py add a bit of doc test to …
(edit) @1110   8 years vondreele removed Uniq % Phi from reflection data structure - make locally …
(edit) @1109   8 years toby minor doc updates, no rebuild
(edit) @1108   8 years toby add windows make for sphinx
(edit) @1107   8 years vondreele make reflist np.array fix bug - hfx+'Type' needs to be in parmDict
(edit) @1106   8 years vondreele modify reflection array to be a dictionary with 4 items: RefList?, …
(edit) @1105   8 years toby fix Matt Suchomel's simulation bug
(edit) @1104   8 years toby fix James Hester's problem reading CW neutron pdCIFs
(edit) @1103   8 years vondreele fixes to protein restraints & rigid body GUI issues
(edit) @1102   8 years toby change exports to always have lists of phases & histograms; new export …
(edit) @1101   8 years vondreele add time prints
(edit) @1100   8 years vondreele finish 1st version (workable) of a PDB exporter for macromolecular …
(edit) @1099   8 years vondreele improvements to torsion & Ramachandran plot routines
(edit) @1098   8 years vondreele improve torsion & Ramachandran restraint plots - use picker to …
(edit) @1097   8 years vondreele mods to restraint GUI & LS output for restraints correct torsion & …
(edit) @1096   8 years vondreele oops - need the numpy random seed routine
(edit) @1095   8 years vondreele make seed %100000
(edit) @1094   8 years vondreele small correction on multi MC/SA
(edit) @1093   8 years vondreele better fix to random number start for multiprocessing
(edit) @1092   8 years vondreele remove GSASIIsolve - never will be used put back matrix rescaling for …
(edit) @1091   8 years toby randomize parallel processes for MC/SA
(edit) @1090   8 years vondreele complete 1st version of export PDB
(edit) @1089   8 years vondreele start on PDB exporter
(edit) @1088   8 years vondreele small tweak to data simulation - give it a "signature" of fakeness
(edit) @1087   8 years vondreele simulated CW powder data now complete with Poisson errors
(edit) @1086   8 years toby finish dummy (simulated) histogram
(edit) @1085   8 years toby installer uses xterm on GNOME shortcut
(edit) @1084   8 years toby installer uses xterm on GNOME shortcut
(edit) @1083   8 years vondreele no fix to multiprocess on linux - restore to previous
(edit) @1082   8 years vondreele multiprocess MC/SA fix?
(edit) @1081   8 years toby revise export menu; add multiple selection to G2gd.ItemSelector?
(edit) @1080   8 years toby revise export menu; add multiple selection to G2gd.ItemSelector?
(edit) @1079   8 years vondreele small changes to G2cif for macromolecular structures; make atom names …
(edit) @1078   8 years vondreele fix a single crystal blunder
(edit) @1077   8 years toby cleanup plot & svn bugs; set missing keywords; CIF export done; update docs
(edit) @1076   8 years vondreele again fix MC/SA window scroll behavior & small start on dummy histograms
(edit) @1075   8 years vondreele implement new March-Dollase term in MC/SA
(edit) @1074   8 years toby more CIF work
(edit) @1073   8 years vondreele change chebyschev background fxn to match what is in old GSAS. Much …
(edit) @1072   8 years vondreele fix distangle dialog reset
(edit) @1071   8 years vondreele change tolerance on RB atom matching; wasn't big enough
(edit) @1070   8 years vondreele fix MC/SA solution grid behavior
(edit) @1069   8 years toby finally a working CIF exporter (export mechanism needs configuring); …
(edit) @1068   8 years toby nearing end of CIF export
(edit) @1067   8 years toby CIF updates
(edit) @1066   8 years vondreele more MC/SA fixes
(edit) @1065   8 years vondreele add MC refinement to MC/SA - works
(edit) @1064   8 years vondreele a correction to MC/SA math
(edit) @1063   8 years vondreele change sf calc timing for MC/SA
(edit) @1062   8 years vondreele a better MC/SA? Still checking it.
(edit) @1061   8 years vondreele speedup for MCSA 3x faster
(edit) @1060   8 years vondreele mods to MC/SA stuff - some speedup done
(edit) @1059   8 years toby new license file; improve ValidatedTxtCtrl? & ScrolledMultiEditor?
(edit) @1058   8 years vondreele implement save of Pawley covariances for MC/SA
(edit) @1057   8 years toby reorg UserCalibrants? into ImageCalibrants?; Add trim (whitespace) …
(edit) @1056   8 years vondreele restore multiprocessing MCSA
(edit) @1055   8 years vondreele working MC/SA
(edit) @1054   8 years vondreele fix for RB plotting
(edit) @1053   8 years toby fix mask with no excluded regions
(edit) @1052   8 years vondreele fix to 64bit version - needed a SetFocus?() after MC/SA run in case …
(edit) @1051   8 years vondreele remove all mcsa fortran code - not needed replace 32-bit Windows …
(edit) @1050   8 years vondreele Add error dialog for needing LS run once before setting constraints.
(edit) @1049   8 years vondreele fix mask copying errors & missing image data items implement …
(edit) @1048   8 years toby fix About box
(edit) @1047   8 years toby change update for new windows; improve About box
(edit) @1046   8 years vondreele put in missing GSASIIpath & version finder
(edit) @1045   8 years vondreele fix Fourier map problems - didn't like Fo<0. use ErrorDialog? for some …
(edit) @1044   8 years vondreele provide example for form factor cif stuff (no new code)
(edit) @1043   8 years vondreele one more HKLF fix clear "Residuals" before processing histogram
(edit) @1042   8 years vondreele fixed HKLF data bug
(edit) @1041   8 years toby update Mac .so files
(edit) @1040   8 years vondreele rename file
(edit) @1039   8 years vondreele a few more cif fix ups an extra _pd_block_diffractogram_id removed …
(edit) @1038   8 years vondreele more work on residuals & cif files
(edit) @1037   8 years vondreele more residuals in cif fixes??
(edit) @1036   8 years vondreele fix a couple of mistakes & get SC to cif OK
(edit) @1035   8 years vondreele further adventures in residual reporting in cif files hId & pId must …
(edit) @1034   8 years toby fix Vic's bug?
(edit) @1033   8 years toby Fix Select tab menu buttons by getting unused Id values
(edit) @1032   8 years toby Use Q not q; only read .gpx files
(edit) @1031   8 years toby fix enabling of Refine menu
(edit) @1030   8 years vondreele mods to CIF export add residuals to histogram GUI save histogram …
(edit) @1029   8 years vondreele fix some things enCIFr whines about
(edit) @1028   8 years toby print/export distances & angles
(edit) @1027   8 years vondreele forgot a debug print
(edit) @1026   8 years toby now with distances & angles
(edit) @1025   8 years vondreele fix excluded region problems
(edit) @1024   8 years vondreele
(edit) @1023   8 years toby last size fix
(edit) @1022   8 years toby fix error on adding an atom to a new phase before Draw Options are …
(edit) @1021   8 years toby more digits in size
(edit) @1020   8 years toby fix Matt's path bug; minor disagl cleanup
(edit) @1019   8 years vondreele few more fixes to exclude editing stuff
(edit) @1018   8 years vondreele a tweak of the excluded regions stuff
(edit) @1017   8 years vondreele implement excluded regions - 1st attempt
(edit) @1016   8 years vondreele remove PawleyDelete? - not used fix floating point error in vcov matrix …
(edit) @1015   8 years vondreele allow delete of individual Pawley reflections
(edit) @1014   8 years vondreele background peak & Debye terms added to cif
(edit) @1013   8 years vondreele add output of profile coeff, background & size/mustrain/strain parms. …
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