source: trunk

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Diff Rev Age Author Log Message
(edit) @4421   3 years toby add R.B. extractor; misc doc updates; plt bug after strip Hs; grid …
(edit) @4420   3 years vondreele improvements to fullrmc interface
(edit) @4419   3 years toby Allow plotting to show selected atoms; reorder some code to put …
(edit) @4418   3 years vondreele change macromolecular default drawing from sticks (slow) to van der …
(edit) @4417   3 years vondreele further enhancements of the fullrmc - GSAS-II interface; now does atom …
(edit) @4416   3 years vondreele fix 3D surface problem when changing mystrain/size axis remove …
(edit) @4415   3 years vondreele change export_PDB to handle fullrmc pdb files implement Wenqian's mod …
(edit) @4413   3 years toby add texture docs and fix build problem
(edit) @4412   3 years toby update tree item display after delete data tree entry
(edit) @4411   3 years toby bug in CIF export; misc cleanup
(edit) @4410   3 years toby do much more cleanup after phase delete; refactor some importer …
(edit) @4409   3 years toby select bank for scripting simulation
(edit) @4408   3 years toby warning for MPL 3.1 & 3.2
(edit) @4406   3 years toby don't allow used PWDR or HKLF histograms to be deleted
(edit) @4405   3 years vondreele continue fullrmc interface work fix bad PatternId? problem in Texture GUI
(edit) @4404   3 years vondreele revise RMCProfile/fullrmc GUI for data files - better interface & has …
(edit) @4403   3 years toby add new incid. beam mono convolutor to FPA; refactor FPA GUI
(edit) @4402   3 years toby add scattering factors to CIF; catch overwrite of 1st reflection bug(\!\!)
(edit) @4401   3 years vondreele Add texture index & esd to texture results - all 3 different cases. …
(edit) @4400   3 years vondreele add rigid body save to make new pdb file with properly named atoms - …
(edit) @4399   3 years toby major refactoring & corrections to ISODISTORT mode import and computations
(edit) @4398   3 years vondreele fix abc* transform for layers
(edit) @4397   3 years vondreele fullrmc interface for run & view done (for now)
(edit) @4396   3 years toby improve end-of-life message, add tools to run bash/bat scripts outside …
(edit) @4389   3 years vondreele adding fullrmc View & Execute methods. Still to do Setup. Replace …
(edit) @4388   3 years vondreele Add warning for using type=2 TOF instrument profile function in old …
(edit) @4381   3 years toby update tutorial listing
(edit) @4380   3 years toby avoid missing _reverse_cmap_spec in MPL 3.2
(edit) @4379   3 years toby fix isodistort constraint processing
(edit) @4378   3 years vondreele begin fullrmc implementation - 1st avoid crash if not installed - give …
(edit) @4377   3 years vondreele Add end-of-life warning for python 2.7 small fix for mag str. fctr calc
(edit) @4375   3 years vondreele try to rationalize plot & data window behavior - put data window on …
(edit) @4374   3 years toby use https before http
(edit) @4373   3 years vondreele cleanup magnetic sym op display - now allows print of X1,x2,x3,x4 as …
(edit) @4372   3 years toby streamline Post access to web pages; try http before https
(edit) @4371   3 years vondreele patch to avoid crash on missing Layer Disp in Refine
(edit) @4370   3 years vondreele Add new parameter to Data tab - Layer DispSizerThis? is intended to …
(edit) @4369   3 years vondreele new menu item in main menu Data/Delete? plots - allows deleting …
(edit) @4368   3 years vondreele missed a III --> IV tutorial
(edit) @4366   3 years vondreele Add plotting of bond distance & bond angle distributions found in …
(edit) @4365   3 years toby set keywords & eol on all G2 files
(edit) @4364   3 years toby minor docs changes; remove remaining .xor. reference
(edit) @4363   3 years toby remove debug line
(edit) @4362   3 years toby doc stuff
(edit) @4361   3 years toby fix hist CIF export, remove dev. ver of IntPDFtool
(edit) @4360   3 years toby change load-gpx dialog to match exit and start new project
(edit) @4356   3 years vondreele remove arrowhead for quiver plot in PlotXYZvect - wasn't the right color.
(edit) @4355   3 years vondreele Add RMCProfile-III tutorial to list in G2ctrlGUI so it shows up in …
(edit) @4353   3 years toby fix bond distance monitor in sequential fit
(edit) @4352   3 years toby expand proxy GUI for more lines
(edit) @4351   3 years vondreele Work on Compare results for more than one type of bond polyhedra. Now …
(edit) @4350   3 years toby add warning for azimuths with no pixels
(edit) @4349   3 years toby fix integration over azimuths with no pixels
(edit) @4348   3 years vondreele Detail work on various RMC plots - getting titles & axes labels correct
(edit) @4347   3 years vondreele restrict G(R) plots to Rmax - sphere enclosed by big box model in …
(edit) @4346   3 years toby implement additional proxy access (documented in …
(edit) @4345   3 years toby Add more image settings to preferences; prevent save of config.py …
(edit) @4344   3 years vondreele
(edit) @4343   3 years toby deal with exporters sharing extension in autointegration
(edit) @4342   3 years vondreele correct scale factor for xray .bragg file try 1/w for xray real space …
(edit) @4341   3 years vondreele use size & mustrain correctly in making RMCProfile .inst file
(edit) @4340   3 years vondreele change http to https for Bilbao web side - works better via eduroam, etc.
(edit) @4339   3 years toby set svn flags; improve compare F-test & add info & covariance plot
(edit) @4338   3 years vondreele fix bug in integrate when no spot mask default set up.
(edit) @4337   3 years vondreele add 'Va' for vacancy to valence table skip 'Va' atoms in partials …
(edit) @4336   3 years toby new docs section
(edit) @4335   3 years toby add autoInt routine, add f-test; updates for documentation
(edit) @4334   3 years vondreele make new f(q) & g(r) files suitable for RMCProfile. The g(r) == PDF. …
(edit) @4333   3 years vondreele work on spot masking; change some text, menu names, etc. Add menu item …
(edit) @4332   3 years vondreele faster build of spot mask spot masks now work in integrate all
(edit) @4330   3 years vondreele Added RMCProfile-II to list of tutorials fix a crash problem in …
(edit) @4328   3 years vondreele Add FITTED_SCALE to RMCprofile options fix issues with changing atom …
(edit) @4327   3 years toby misc doc updates
(edit) @4326   3 years toby initialize exports before histogram export
(edit) @4325   3 years vondreele small RMCProfile fixes New auto spot mask version - works
(edit) @4324   3 years vondreele revised auto spot finder; set default esdMul = 3 everywhere try …
(edit) @4323   3 years vondreele fixes to ave & fixed CN constraint for RMCProfile
(edit) @4322   3 years vondreele fic Compare plots; some overwritten by mistake
(edit) @4321   3 years vondreele correct G(R) partials for atom fraction & scattering length
(edit) @4320   3 years toby still more minor doc adjustments
(edit) @4319   3 years toby remove plot debug code
(edit) @4318   3 years toby minor table adjustments & finally figure out Angstrom for LaTeX and …
(edit) @4317   3 years vondreele make esd multiplier for spot mask search a float add timing to it
(edit) @4316   3 years vondreele slight streamline of AutoSpotMask2 - a bit faster
(edit) @4315   3 years vondreele more fixes to documentation tables.
(edit) @4314   3 years vondreele
(edit) @4313   3 years toby giving up, LaTeX Angstrom symbol does not work in equations
(edit) @4312   3 years toby Fix LaTeX Angstrom symbol for MathJaX again
(edit) @4311   3 years toby Fix LaTeX Angstrom symbol for MathJaX
(edit) @4310   3 years toby remove Angstrom symbol. MathJaX fix fails in LaTeX
(edit) @4309   3 years toby more work on docs
(edit) @4308   3 years vondreele revisions to docs - set columns at tabs, fix up Instrument parms
(edit) @4307   3 years toby pretty up docs
(edit) @4306   3 years vondreele major doc edits
(edit) @4305   3 years toby improve docs
(edit) @4304   3 years toby add sample broadening to scriptable
(edit) @4303   3 years toby fix scriptable for multiple image files and xfer correction in @4286
(edit) @4302   3 years vondreele full implementation of the new spotmask finder.
(edit) @4301   3 years toby initialize SpotMask? for image import
(edit) @4300   3 years toby fix problem with missing SpotMask? entry
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