source: trunk/GSASIIstrMain.py

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Diff Rev Age Author Log Message
(edit) @1550   11 years vondreele turn off a DEBUG
(edit) @1539   11 years vondreele fix GOF & more supercell stuff
(edit) @1531   11 years vondreele fix getVCOV; nonexistant parms return zero. fix space group output in …
(edit) @1493   11 years vondreele set move=True for GenAtom? call for FillUnitCell? show bin width in …
(edit) @1491   11 years vondreele DEBUG = False & remove stray print TOF single xtal extinction & …
(edit) @1489   11 years vondreele correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
(edit) @1474   11 years vondreele 1st MC/SA tutorial various MC/SA fixes fix to background peak fitting …
(edit) @1462   11 years vondreele add sig-2 to TOF profile coeff. new d-spacing plot option
(edit) @1461   11 years vondreele modify xye import to not divide by CW (channel width)for TOF data. NB: …
(edit) @1335   11 years toby Redo pseudovar computation to handle constraint-generated vars
(edit) @1299   11 years toby Set conf flags consistently for .py files
(edit) @1297   11 years vondreele setup sequential small angle refinements & display includes copy & …
(edit) @1291   11 years toby add Rfactors to SeqRef?; check variables for consistency after constraints
(edit) @1289   11 years toby Fix bug in copy of histogram parms on Copy Next
(edit) @1282   11 years toby sequential refinement updates
(edit) @1248   11 years vondreele add setscale for SASD data don't square the 1/cos(2-theta) correction …
(edit) @1247   11 years toby allow wildcarded-histogram constraint input; implement for seq refinements
(edit) @1243   11 years toby fix constraints use in sequential refinements
(edit) @1242   11 years vondreele minor mods to sequential refinement print controls output
(edit) @1241   11 years vondreele copy next now allows reverse & skipped histograms
(edit) @1240   11 years vondreele add control for copying parms from one histogram to next in a …
(edit) @1239   11 years vondreele wx.ALIGN_CENTER_VERTICAL to WACV in G2ddataGUI fix data frame size for …
(edit) @1238   11 years toby improve seq. ref. error msg; add debug printing
(edit) @1143   12 years toby rework constraints to handle names and refine flag for new var (input …
(edit) @1141   12 years toby minor tweaks: move indexing of Ids to histogram load, remove Type from …
(edit) @1139   12 years toby missing def
(edit) @1138   12 years toby major constraints revision
(edit) @1125   12 years vondreele StructureFactor2 does SF calculation for entire block of reflection - …
(edit) @1077   12 years toby cleanup plot & svn bugs; set missing keywords; CIF export done; update docs
(edit) @1058   12 years vondreele implement save of Pawley covariances for MC/SA
(edit) @1028   12 years toby print/export distances & angles
(edit) @1016   12 years vondreele remove PawleyDelete? - not used fix floating point error in vcov matrix …
(edit) @975   12 years vondreele a few mods to HessianLSQ
(edit) @960   12 years toby check in CIF dev snapshot
(edit) @956   12 years toby snapshot of CIF dev
(edit) @955   12 years vondreele fix periodic table (B & Al in wrong column!)
(edit) @954   12 years vondreele fix to Hessian LSQ to stop if lam > 10e5! fix to rigid body quaternion …
(edit) @946   12 years toby update self-docs, start work on constraints object
(edit) @939   12 years toby fix & cleanup unit tests; add/change doc strings for sphinx; add all …
(edit) @930   12 years vondreele another missing link
(edit) @928   12 years vondreele set debug to false
(add) @926   12 years vondreele split GSASIIstruct.py into 3 pieces
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