|
|
@4339
|
3 years |
toby |
set svn flags; improve compare F-test & add info & covariance plot
|
|
|
@4338
|
3 years |
vondreele |
fix bug in integrate when no spot mask default set up.
|
|
|
@4337
|
3 years |
vondreele |
add 'Va' for vacancy to valence table
skip 'Va' atoms in partials …
|
|
|
@4336
|
3 years |
toby |
new docs section
|
|
|
@4335
|
3 years |
toby |
add autoInt routine, add f-test; updates for documentation
|
|
|
@4334
|
3 years |
vondreele |
make new f(q) & g(r) files suitable for RMCProfile. The g(r) == PDF. …
|
|
|
@4333
|
3 years |
vondreele |
work on spot masking; change some text, menu names, etc.
Add menu item …
|
|
|
@4332
|
3 years |
vondreele |
faster build of spot mask
spot masks now work in integrate all
|
|
|
@4331
|
3 years |
vondreele |
remove 2 extra data sets
|
|
|
@4330
|
3 years |
vondreele |
Added RMCProfile-II to list of tutorials
fix a crash problem in …
|
|
|
@4329
|
3 years |
vondreele |
new RMCProfile tutorial
|
|
|
@4328
|
3 years |
vondreele |
Add FITTED_SCALE to RMCprofile options
fix issues with changing atom …
|
|
|
@4327
|
3 years |
toby |
misc doc updates
|
|
|
@4326
|
3 years |
toby |
initialize exports before histogram export
|
|
|
@4325
|
3 years |
vondreele |
small RMCProfile fixes
New auto spot mask version - works
|
|
|
@4324
|
3 years |
vondreele |
revised auto spot finder; set default esdMul = 3 everywhere
try …
|
|
|
@4323
|
3 years |
vondreele |
fixes to ave & fixed CN constraint for RMCProfile
|
|
|
@4322
|
3 years |
vondreele |
fic Compare plots; some overwritten by mistake
|
|
|
@4321
|
3 years |
vondreele |
correct G(R) partials for atom fraction & scattering length
|
|
|
@4320
|
3 years |
toby |
still more minor doc adjustments
|
|
|
@4319
|
3 years |
toby |
remove plot debug code
|
|
|
@4318
|
3 years |
toby |
minor table adjustments & finally figure out Angstrom for LaTeX and …
|
|
|
@4317
|
3 years |
vondreele |
make esd multiplier for spot mask search a float
add timing to it
|
|
|
@4316
|
3 years |
vondreele |
slight streamline of AutoSpotMask2 - a bit faster
|
|
|
@4315
|
3 years |
vondreele |
more fixes to documentation tables.
|
|
|
@4314
|
3 years |
vondreele |
|
|
|
@4313
|
3 years |
toby |
giving up, LaTeX Angstrom symbol does not work in equations
|
|
|
@4312
|
3 years |
toby |
Fix LaTeX Angstrom symbol for MathJaX again
|
|
|
@4311
|
3 years |
toby |
Fix LaTeX Angstrom symbol for MathJaX
|
|
|
@4310
|
3 years |
toby |
remove Angstrom symbol. MathJaX fix fails in LaTeX
|
|
|
@4309
|
3 years |
toby |
more work on docs
|
|
|
@4308
|
3 years |
vondreele |
revisions to docs - set columns at tabs, fix up Instrument parms
|
|
|
@4307
|
3 years |
toby |
pretty up docs
|
|
|
@4306
|
3 years |
vondreele |
major doc edits
|
|
|
@4305
|
3 years |
toby |
improve docs
|
|
|
@4304
|
3 years |
toby |
add sample broadening to scriptable
|
|
|
@4303
|
3 years |
toby |
fix scriptable for multiple image files and xfer correction in @4286
|
|
|
@4302
|
3 years |
vondreele |
full implementation of the new spotmask finder.
|
|
|
@4301
|
3 years |
toby |
initialize SpotMask? for image import
|
|
|
@4300
|
3 years |
toby |
fix problem with missing SpotMask? entry
|
|
|
@4299
|
3 years |
vondreele |
new spot mask algorithm - it is slow but works
|
|
|
@4298
|
3 years |
toby |
put data items into legend, but make that optional; fix publication …
|
|
|
@4297
|
3 years |
vondreele |
fix bug in tetrahedral compare code
|
|
|
@4296
|
3 years |
vondreele |
Extend tutorial to include use of Compare
|
|
|
@4295
|
3 years |
vondreele |
fix crash on zero cycles (e.g.in a simulation)
|
|
|
@4294
|
3 years |
vondreele |
remove obs, calc, etc. from display plot legend - caused problems in …
|
|
|
@4293
|
3 years |
vondreele |
fix plotting crash during refinement.
|
|
|
@4292
|
3 years |
vondreele |
disable Compare unless phase is P 1.
|
|
|
@4291
|
3 years |
vondreele |
new tool in Phase/General? - Compare: compares (P 1 only) structures to …
|
|
|
@4290
|
3 years |
vondreele |
fix Bilbao-GSAS-II connection; use get instead of post in SUBGROUPS.py …
|
|
|
@4289
|
3 years |
vondreele |
start on 'Compare' for comparison of bonding polyhedra between phases …
|
|
|
@4288
|
3 years |
vondreele |
add import of Dectris Eiger 1M tif images
|
|
|
@4287
|
3 years |
vondreele |
Add obs, calc, etc. to PWDR plot legends
|
|
|
@4286
|
3 years |
vondreele |
remove some IPyBreaks
fix reading of hdf5 & applying a dark image - …
|
|
|
@4285
|
3 years |
vondreele |
fix assemble molecule - need list not range
|
|
|
@4284
|
3 years |
vondreele |
|
|
|
@4283
|
3 years |
vondreele |
|
|
|
@4282
|
3 years |
vondreele |
|
|
|
@4281
|
3 years |
vondreele |
|
|
|
@4280
|
3 years |
vondreele |
|
|
|
@4279
|
3 years |
vondreele |
|
|
|
@4278
|
3 years |
vondreele |
set mime type
|
|
|
@4277
|
3 years |
vondreele |
new version
|
|
|
@4276
|
3 years |
vondreele |
|
|
|
@4275
|
3 years |
vondreele |
|
|
|
@4274
|
3 years |
vondreele |
increase size of figures
|
|
|
@4273
|
3 years |
vondreele |
fixup RMCProfile-I tutorial titles
|
|
|
@4272
|
3 years |
vondreele |
fix some directory references
add RMCProfile-I tutorial to tutorial menu
|
|
|
@4271
|
3 years |
vondreele |
add RMCProfile-I tutorial
|
|
|
@4270
|
3 years |
vondreele |
set default directories to G2frame.LastGPXdir or result from …
|
|
|
@4269
|
3 years |
vondreele |
clear out old bond files before next run of RMCProfile
fix conversion …
|
|
|
@4268
|
3 years |
vondreele |
fixes to RMCProfile - GSAS-II stuff.
works with x-ray F(Q), etc.
|
|
|
@4267
|
3 years |
vondreele |
add element "Va" for vacancy with small radius, & zero scattering factors
|
|
|
@4266
|
3 years |
toby |
add patches for Python 2.7
|
|
|
@4265
|
3 years |
vondreele |
add bond direction plots to RMCProfile results
|
|
|
@4264
|
3 years |
vondreele |
Add swap atoms to RMCProfile stuff
Handle vacancies
|
|
|
@4263
|
3 years |
vondreele |
major revision of RMCProfile GUI - now shows in data window instead of …
|
|
|
@4262
|
3 years |
toby |
start of project comparison tool
|
|
|
@4261
|
3 years |
toby |
Last(?) updates to mac/linux install
|
|
|
@4260
|
3 years |
toby |
Redirect stderr to /.messages.txt mac install
|
|
|
@4259
|
3 years |
toby |
Redirect stderr to /.messages.txt mac install
|
|
|
@4258
|
3 years |
toby |
Try with error in stderr on mac install
|
|
|
@4257
|
3 years |
toby |
more testing for offline mac install
|
|
|
@4256
|
3 years |
toby |
more testing for offline mac install
|
|
|
@4255
|
3 years |
toby |
debug mac install
|
|
|
@4254
|
3 years |
vondreele |
more RMCProfile setup stuff added
|
|
|
@4253
|
3 years |
vondreele |
changes to RMCProfile stuff
short cut the find unique for P 1 space group
|
|
|
@4252
|
3 years |
svnjenkins |
Build with Build_Mac_py3.7 on mac mac-1
|
|
|
@4251
|
3 years |
svnjenkins |
Build with Build_Mac_py3.7 on mac mac-1
|
|
|
@4250
|
3 years |
svnjenkins |
Build with Build_Mac_py3.7 on mac mac-1
|
|
|
@4249
|
3 years |
toby |
fix bug version in PIL/pillow
|
|
|
@4248
|
3 years |
vondreele |
changes to RMCProfile GUI
now saves settings
diff curve for G(R) plot …
|
|
|
@4247
|
3 years |
toby |
move to packaging to numpy 1.17 to match build for win-32
|
|
|
@4246
|
3 years |
svnjenkins |
Build with Build_win32_py3.7 on win32-2 win32-x86
|
|
|
@4245
|
3 years |
toby |
remove badly build binaries
|
|
|
@4244
|
3 years |
svnjenkins |
Build with Build_win32_py3.7 on win32-2 win32-x86
|
|
|
@4243
|
3 years |
svnjenkins |
Build with Build_win32_py3.7 on win64-2 windows-x64
|
|
|
@4242
|
3 years |
toby |
bootstrap fix error
|
|
|
@4241
|
3 years |
toby |
fix for reading .pwdrbck files
|
|
|
@4240
|
3 years |
toby |
work on 32-bit windows build
|
|
|