source: trunk

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Diff Rev Age Author Log Message
(edit) @4476   2 years vondreele make sure if Uij = None that it is zero, type is 'I' and that after a …
(edit) @4475   2 years vondreele fix prolem in cif files where anisotropic params are as ...... --> …
(edit) @4474   2 years vondreele fix minor cif problem - order of "source" and "neutron"
(edit) @4473   2 years toby allow adding of rigid body atoms to atoms list
(edit) @4471   2 years vondreele restore FillCoordSphere? from G2 version #4379
(edit) @4470   2 years vondreele Add option to fade by 50% symmetry equivalent atoms, bonds, etc. in …
(edit) @4469   2 years toby fix for TOF simulation scripting; improve peak selection status line …
(edit) @4468   2 years toby add status msg on Shift-Click atom selection; error message with RB …
(edit) @4467   2 years vondreele fix map peak selection
(edit) @4466   2 years vondreele change Pawley refinement menu items for setting/unsetting refine flags …
(edit) @4465   2 years vondreele fix atom selection from figure for Atoms - now it the same as for Draw …
(edit) @4464   2 years vondreele reinstate the old FindCoordination? as FindCoordination2 - was used in …
(edit) @4463   2 years toby Redisplay structure after a shift-click to select an atom; update plot …
(edit) @4462   2 years vondreele fix bug for not installed RMCProfile
(edit) @4461   2 years vondreele fix bugs in MakeRMC6f & MakefullrmcPDB
(edit) @4460   2 years vondreele correct plots for RMCProfile & fullrmc S(Q) & G(R) plots.
(edit) @4456   2 years vondreele fix bug in SytSym?
(edit) @4455   2 years toby fix and speed up the "Complete Molecule" command; w/o for mult calc bug
(edit) @4454   2 years vondreele allow selection by atom name (same as by type)
(edit) @4453   2 years vondreele cleanup fixes to G2pshGUI
(edit) @4451   2 years vondreele Add Histogram distances & angles to Phase/Atom/Compute? menu fix …
(edit) @4450   2 years vondreele Add Histogram bonds & angles to Atoms/Compute? menu - makes histogram …
(edit) @4449   2 years vondreele fix atom pick routine in structure drawing
(edit) @4448   2 years toby add complete molecule (slow) & fix use of radii
(edit) @4447   2 years vondreele change RMCProfie chi2 to log10 chi2 to match fulrmc chi2 plot fix …
(edit) @4442   2 years toby better atom selection; try to fix packaging bug
(edit) @4441   2 years vondreele cleanup of GenAtom? fix Dist Angle calcs for an imported phase with no …
(edit) @4440   2 years vondreele fix atom draw update problem when atoms not in unit cell2Arelated …
(edit) @4439   2 years toby bootstrap w/selected binary; update svn switch cmd; save build output
(edit) @4437   2 years toby add fix for paths in libraries
(edit) @4436   2 years toby add fix for paths in libraries
(edit) @4435   2 years vondreele fix MakeRMC6f for fractional atom fracs
(edit) @4434   2 years vondreele Change Force=True for anisotropic atms in call to GenAtom? in …
(edit) @4433   2 years toby fix problem where histogram has reflections, but is not in phase; …
(edit) @4432   2 years vondreele change ifConstraint flag in Transform to False flag missing reflection …
(edit) @4431   2 years toby new code for locating RBs; redo GUI for RB extractor
(edit) @4430   2 years vondreele some cleanup of fullrmc stuff
(edit) @4429   2 years toby not that change yet
(edit) @4428   2 years toby minor RB stuff in prep for new add RB code
(edit) @4427   2 years vondreele fullrmc fixes
(edit) @4426   2 years vondreele fix bug in bond restraint import
(edit) @4425   2 years vondreele fix generation of fullrmc pdb file for structures with partial …
(edit) @4424   2 years toby fix RB selection with 1 RB
(edit) @4423   2 years vondreele fix to RMC stuff
(edit) @4422   2 years vondreele more fullrmc stuff
(edit) @4421   2 years toby add R.B. extractor; misc doc updates; plt bug after strip Hs; grid …
(edit) @4420   2 years vondreele improvements to fullrmc interface
(edit) @4419   2 years toby Allow plotting to show selected atoms; reorder some code to put …
(edit) @4418   2 years vondreele change macromolecular default drawing from sticks (slow) to van der …
(edit) @4417   2 years vondreele further enhancements of the fullrmc - GSAS-II interface; now does atom …
(edit) @4416   2 years vondreele fix 3D surface problem when changing mystrain/size axis remove …
(edit) @4415   2 years vondreele change export_PDB to handle fullrmc pdb files implement Wenqian's mod …
(edit) @4413   2 years toby add texture docs and fix build problem
(edit) @4412   2 years toby update tree item display after delete data tree entry
(edit) @4411   2 years toby bug in CIF export; misc cleanup
(edit) @4410   2 years toby do much more cleanup after phase delete; refactor some importer …
(edit) @4409   2 years toby select bank for scripting simulation
(edit) @4408   2 years toby warning for MPL 3.1 & 3.2
(edit) @4406   2 years toby don't allow used PWDR or HKLF histograms to be deleted
(edit) @4405   2 years vondreele continue fullrmc interface work fix bad PatternId? problem in Texture GUI
(edit) @4404   2 years vondreele revise RMCProfile/fullrmc GUI for data files - better interface & has …
(edit) @4403   2 years toby add new incid. beam mono convolutor to FPA; refactor FPA GUI
(edit) @4402   2 years toby add scattering factors to CIF; catch overwrite of 1st reflection bug(\!\!)
(edit) @4401   2 years vondreele Add texture index & esd to texture results - all 3 different cases. …
(edit) @4400   2 years vondreele add rigid body save to make new pdb file with properly named atoms - …
(edit) @4399   2 years toby major refactoring & corrections to ISODISTORT mode import and computations
(edit) @4398   2 years vondreele fix abc* transform for layers
(edit) @4397   2 years vondreele fullrmc interface for run & view done (for now)
(edit) @4396   2 years toby improve end-of-life message, add tools to run bash/bat scripts outside …
(edit) @4389   2 years vondreele adding fullrmc View & Execute methods. Still to do Setup. Replace …
(edit) @4388   2 years vondreele Add warning for using type=2 TOF instrument profile function in old …
(edit) @4381   2 years toby update tutorial listing
(edit) @4380   2 years toby avoid missing _reverse_cmap_spec in MPL 3.2
(edit) @4379   2 years toby fix isodistort constraint processing
(edit) @4378   2 years vondreele begin fullrmc implementation - 1st avoid crash if not installed - give …
(edit) @4377   2 years vondreele Add end-of-life warning for python 2.7 small fix for mag str. fctr calc
(edit) @4375   2 years vondreele try to rationalize plot & data window behavior - put data window on …
(edit) @4374   2 years toby use https before http
(edit) @4373   2 years vondreele cleanup magnetic sym op display - now allows print of X1,x2,x3,x4 as …
(edit) @4372   2 years toby streamline Post access to web pages; try http before https
(edit) @4371   2 years vondreele patch to avoid crash on missing Layer Disp in Refine
(edit) @4370   2 years vondreele Add new parameter to Data tab - Layer DispSizerThis? is intended to …
(edit) @4369   2 years vondreele new menu item in main menu Data/Delete? plots - allows deleting …
(edit) @4368   2 years vondreele missed a III --> IV tutorial
(edit) @4366   2 years vondreele Add plotting of bond distance & bond angle distributions found in …
(edit) @4365   2 years toby set keywords & eol on all G2 files
(edit) @4364   2 years toby minor docs changes; remove remaining .xor. reference
(edit) @4363   2 years toby remove debug line
(edit) @4362   2 years toby doc stuff
(edit) @4361   2 years toby fix hist CIF export, remove dev. ver of IntPDFtool
(edit) @4360   2 years toby change load-gpx dialog to match exit and start new project
(edit) @4356   2 years vondreele remove arrowhead for quiver plot in PlotXYZvect - wasn't the right color.
(edit) @4355   2 years vondreele Add RMCProfile-III tutorial to list in G2ctrlGUI so it shows up in …
(edit) @4353   2 years toby fix bond distance monitor in sequential fit
(edit) @4352   2 years toby expand proxy GUI for more lines
(edit) @4351   2 years vondreele Work on Compare results for more than one type of bond polyhedra. Now …
(edit) @4350   2 years toby add warning for azimuths with no pixels
(edit) @4349   2 years toby fix integration over azimuths with no pixels
(edit) @4348   2 years vondreele Detail work on various RMC plots - getting titles & axes labels correct
(edit) @4347   2 years vondreele restrict G(R) plots to Rmax - sphere enclosed by big box model in …
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