|
|
@4271
|
4 years |
vondreele |
add RMCProfile-I tutorial
|
|
|
@4270
|
4 years |
vondreele |
set default directories to G2frame.LastGPXdir or result from …
|
|
|
@4269
|
4 years |
vondreele |
clear out old bond files before next run of RMCProfile
fix conversion …
|
|
|
@4268
|
4 years |
vondreele |
fixes to RMCProfile - GSAS-II stuff.
works with x-ray F(Q), etc.
|
|
|
@4267
|
4 years |
vondreele |
add element "Va" for vacancy with small radius, & zero scattering factors
|
|
|
@4266
|
4 years |
toby |
add patches for Python 2.7
|
|
|
@4265
|
4 years |
vondreele |
add bond direction plots to RMCProfile results
|
|
|
@4264
|
4 years |
vondreele |
Add swap atoms to RMCProfile stuff
Handle vacancies
|
|
|
@4263
|
4 years |
vondreele |
major revision of RMCProfile GUI - now shows in data window instead of …
|
|
|
@4262
|
4 years |
toby |
start of project comparison tool
|
|
|
@4261
|
4 years |
toby |
Last(?) updates to mac/linux install
|
|
|
@4260
|
4 years |
toby |
Redirect stderr to /.messages.txt mac install
|
|
|
@4259
|
4 years |
toby |
Redirect stderr to /.messages.txt mac install
|
|
|
@4258
|
4 years |
toby |
Try with error in stderr on mac install
|
|
|
@4257
|
4 years |
toby |
more testing for offline mac install
|
|
|
@4256
|
4 years |
toby |
more testing for offline mac install
|
|
|
@4255
|
4 years |
toby |
debug mac install
|
|
|
@4254
|
4 years |
vondreele |
more RMCProfile setup stuff added
|
|
|
@4253
|
4 years |
vondreele |
changes to RMCProfile stuff
short cut the find unique for P 1 space group
|
|
|
@4252
|
4 years |
svnjenkins |
Build with Build_Mac_py3.7 on mac mac-1
|
|
|
@4251
|
4 years |
svnjenkins |
Build with Build_Mac_py3.7 on mac mac-1
|
|
|
@4250
|
4 years |
svnjenkins |
Build with Build_Mac_py3.7 on mac mac-1
|
|
|
@4249
|
4 years |
toby |
fix bug version in PIL/pillow
|
|
|
@4248
|
4 years |
vondreele |
changes to RMCProfile GUI
now saves settings
diff curve for G(R) plot …
|
|
|
@4247
|
4 years |
toby |
move to packaging to numpy 1.17 to match build for win-32
|
|
|
@4246
|
4 years |
svnjenkins |
Build with Build_win32_py3.7 on win32-2 win32-x86
|
|
|
@4245
|
4 years |
toby |
remove badly build binaries
|
|
|
@4244
|
4 years |
svnjenkins |
Build with Build_win32_py3.7 on win32-2 win32-x86
|
|
|
@4243
|
4 years |
svnjenkins |
Build with Build_win32_py3.7 on win64-2 windows-x64
|
|
|
@4242
|
4 years |
toby |
bootstrap fix error
|
|
|
@4241
|
4 years |
toby |
fix for reading .pwdrbck files
|
|
|
@4240
|
4 years |
toby |
work on 32-bit windows build
|
|
|
@4239
|
4 years |
toby |
fix multi-image use in scripts; work on 32-bit windows build
|
|
|
@4238
|
4 years |
toby |
more install fixes: add error message
|
|
|
@4237
|
4 years |
vondreele |
simplify rmcprofile.bat
|
|
|
@4236
|
4 years |
vondreele |
remove dependence on fullrmc existing
rearrange RMC options
fixes to …
|
|
|
@4235
|
4 years |
toby |
minor install changes
|
|
|
@4234
|
4 years |
toby |
Cleanup registry stuff
|
|
|
@4233
|
4 years |
toby |
Create log files during install
|
|
|
@4232
|
4 years |
toby |
add qt back for gsas2full build
|
|
|
@4231
|
4 years |
toby |
require numpy=1.15 in gsas2full build
|
|
|
@4230
|
4 years |
toby |
more work on gsas2full build
|
|
|
@4229
|
4 years |
vondreele |
simplify formation of PWDR/SASD/REFD keybox option menus.
|
|
|
@4228
|
4 years |
vondreele |
Weight plots now work for dPlot & qPlot in single and multiplots
|
|
|
@4227
|
4 years |
toby |
call activate during Windows install
|
|
|
@4226
|
4 years |
toby |
call activate during Windows install
|
|
|
@4225
|
4 years |
toby |
Revise windows batch file creation for paths with spaces
|
|
|
@4224
|
4 years |
vondreele |
put try/except around Plot.set_aspect(aspect='equal'). It worked in …
|
|
|
@4223
|
4 years |
vondreele |
trap the C++ error on getting a tree item
|
|
|
@4222
|
4 years |
toby |
Py3 bug fix
|
|
|
@4221
|
4 years |
vondreele |
more RMCProfile enhancements
|
|
|
@4220
|
4 years |
vondreele |
swap order of binds in ValidatedTextCtrl? - might work better?routines …
|
|
|
@4219
|
4 years |
toby |
add kludge for sphinx 1.8.5 build
|
|
|
@4218
|
4 years |
toby |
remove test branches
|
|
|
@4217
|
4 years |
toby |
add config files
|
|
|
@4216
|
4 years |
toby |
move docbuild
|
|
|
@4215
|
4 years |
toby |
recreated
|
|
|
@4214
|
4 years |
toby |
redo docbuild with updates
|
|
|
@4213
|
4 years |
toby |
multiple small changes to allow docs build under 3.x
|
|
|
@4212
|
4 years |
toby |
try to build docs with Python 3.x
|
|
|
@4211
|
4 years |
toby |
add G2Phase.mu, correcting for assumed error in XScattDen
|
|
|
@4210
|
4 years |
vondreele |
fix bad DifC name in MakeInst?
Add start on MakeRMCPdat routine - makes …
|
|
|
@4209
|
4 years |
vondreele |
Add file dialog to help with RMCProfile View option
|
|
|
@4208
|
4 years |
vondreele |
Set phase name from rmc6f importer = imported file name & set default …
|
|
|
@4207
|
4 years |
toby |
add density to scripting
|
|
|
@4206
|
4 years |
vondreele |
add importer for phase from RMCProfile rmc6f file - structure result …
|
|
|
@4205
|
4 years |
toby |
try to fix RTD table wrapping, see …
|
|
|
@4204
|
4 years |
vondreele |
Fix bad code in MakeBack?
|
|
|
@4203
|
4 years |
toby |
Add close and composition to G2scriptable; more doc updates
|
|
|
@4202
|
4 years |
vondreele |
fix check for chebyschev-1 in RMC MakeBack? routine.
|
|
|
@4201
|
4 years |
vondreele |
add new chebyschev-1 background function; matches that from old gsas. …
|
|
|
@4200
|
4 years |
vondreele |
Add visualization of RMCProfile results, i.e. G(R), S(Q), partials, …
|
|
|
@4199
|
4 years |
vondreele |
enhance MakeRMC6f for RMCProfile
|
|
|
@4198
|
4 years |
toby |
doc improvements; new scripting options (rev. sequential & set …
|
|
|
@4197
|
4 years |
vondreele |
put reference to Cromer & Liberman in Absorb & Fprime as well as …
|
|
|
@4196
|
4 years |
vondreele |
ad fullrmc dialog for set up
comment out & skip W plot update for …
|
|
|
@4195
|
4 years |
vondreele |
add a find utility to GSASIIfiles for finding a file within a …
|
|
|
@4194
|
4 years |
vondreele |
fix bug in absorption calc for TOF
fix bug if Cancel from default …
|
|
|
@4193
|
4 years |
vondreele |
fix comment lines so easier to see in spyder outline
use a dummy …
|
|
|
@4192
|
4 years |
vondreele |
fix OnFileReopen?; broke when some file were deleted beforehand
Some …
|
|
|
@4191
|
4 years |
vondreele |
put in dummy phase tab & menu for fullrmc
partial implementation of …
|
|
|
@4190
|
4 years |
vondreele |
add sample parameters to PWDR csv export file
|
|
|
@4189
|
4 years |
vondreele |
revert back on progress bar change
|
|
|
@4188
|
4 years |
vondreele |
try to make refine progress bar stay on top
|
|
|
@4187
|
4 years |
toby |
Add dummy flag for scripted simulations; fix command line file read on Mac
|
|
|
@4186
|
4 years |
vondreele |
replace 'next' (reserved word) with 'prev' in OnGPXKetDown
|
|
|
@4185
|
4 years |
vondreele |
mag math again
|
|
|
@4184
|
4 years |
toby |
fix GPX files with a colour object in them
|
|
|
@4183
|
4 years |
vondreele |
moe mg.
|
|
|
@4182
|
4 years |
vondreele |
mag. str. fctr. changes
|
|
|
@4181
|
4 years |
vondreele |
one more small improvement in integration speed
|
|
|
@4180
|
4 years |
vondreele |
reoptimize integration block size; now 128 seems fastest (was 256 but …
|
|
|
@4179
|
4 years |
vondreele |
a bit more speedup for polarization correction
|
|
|
@4178
|
4 years |
vondreele |
precalculate polarization for image integration - faster
|
|
|
@4177
|
4 years |
toby |
fix index when a phase has a non-standard spg
|
|
|
@4176
|
4 years |
vondreele |
best mag ss sf calc for DyMn6Ge6
|
|
|
@4175
|
4 years |
vondreele |
fix transform for abc* matrix transposed; fix rounding issue fro …
|
|
|
@4174
|
4 years |
vondreele |
mag ssg fixes
|
|
|
@4173
|
4 years |
vondreele |
mag ss fixes
|
|
|
@4172
|
4 years |
vondreele |
fix to SS operator printing
|
|
|