source: trunk/GSASIIstrMath.py

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Diff Rev Age Author Log Message
(edit) @1140   12 years vondreele fix problem in lease squares fix ImageCalibrants?.py - remove None
(edit) @1136   12 years vondreele block StructureFactor2 calcs - less memory
(edit) @1134   12 years vondreele add MemoryError? check to StructureFactor2 allow inversion of x & y …
(edit) @1125   12 years vondreele StructureFactor2 does SF calculation for entire block of reflection - …
(edit) @1119   12 years vondreele fix neutron refinement problem
(edit) @1113   12 years vondreele fix Babinet derivatives for SC & powder
(edit) @1111   12 years vondreele small change to FF calc in GSASIIstrMath.py add a bit of doc test to …
(edit) @1110   12 years vondreele removed Uniq % Phi from reflection data structure - make locally …
(edit) @1107   12 years vondreele make reflist np.array fix bug - hfx+'Type' needs to be in parmDict
(edit) @1106   12 years vondreele modify reflection array to be a dictionary with 4 items: RefList?, …
(edit) @1103   12 years vondreele fixes to protein restraints & rigid body GUI issues
(edit) @1101   12 years vondreele add time prints
(edit) @1097   12 years vondreele mods to restraint GUI & LS output for restraints correct torsion & …
(edit) @1092   12 years vondreele remove GSASIIsolve - never will be used put back matrix rescaling for …
(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) @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) @1043   12 years vondreele one more HKLF fix clear "Residuals" before processing histogram
(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) @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) @1030   12 years vondreele mods to CIF export add residuals to histogram GUI save histogram …
(edit) @1027   12 years vondreele forgot a debug print
(edit) @1025   12 years vondreele fix excluded region problems
(edit) @1017   12 years vondreele implement excluded regions - 1st attempt
(edit) @990   12 years toby mac fix for gltext; update docs
(edit) @989   12 years toby add constraint derivs for single xtal; allow cellFill to work without …
(edit) @961   12 years vondreele fix rb constraints - useCount fix Uij2Ueqv mods to anneal algorithms …
(edit) @954   12 years vondreele fix to Hessian LSQ to stop if lam > 10e5! fix to rigid body quaternion …
(edit) @953   12 years vondreele fixes to RB refinement & MC/SA
(edit) @942   12 years vondreele mods for MC/SA: moved scat fac routines from GSASIIstrIO.py & …
(edit) @939   12 years toby fix & cleanup unit tests; add/change doc strings for sphinx; add all …
(edit) @934   12 years vondreele changes for MC/SA
(edit) @927   12 years vondreele more G2str fixes
(add) @926   12 years vondreele split GSASIIstruct.py into 3 pieces
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