|
|
@1039
|
10 years |
vondreele |
a few more cif fix ups
an extra _pd_block_diffractogram_id removed …
|
|
|
@1038
|
10 years |
vondreele |
more work on residuals & cif files
|
|
|
@1037
|
10 years |
vondreele |
more residuals in cif fixes??
|
|
|
@1036
|
10 years |
vondreele |
fix a couple of mistakes & get SC to cif OK
|
|
|
@1035
|
10 years |
vondreele |
further adventures in residual reporting in cif files
hId & pId must …
|
|
|
@1034
|
10 years |
toby |
fix Vic's bug?
|
|
|
@1033
|
10 years |
toby |
Fix Select tab menu buttons by getting unused Id values
|
|
|
@1032
|
10 years |
toby |
Use Q not q; only read .gpx files
|
|
|
@1031
|
10 years |
toby |
fix enabling of Refine menu
|
|
|
@1030
|
10 years |
vondreele |
mods to CIF export
add residuals to histogram GUI
save histogram …
|
|
|
@1029
|
10 years |
vondreele |
fix some things enCIFr whines about
|
|
|
@1028
|
10 years |
toby |
print/export distances & angles
|
|
|
@1027
|
10 years |
vondreele |
forgot a debug print
|
|
|
@1026
|
10 years |
toby |
now with distances & angles
|
|
|
@1025
|
10 years |
vondreele |
fix excluded region problems
|
|
|
@1024
|
10 years |
vondreele |
|
|
|
@1023
|
10 years |
toby |
last size fix
|
|
|
@1022
|
10 years |
toby |
fix error on adding an atom to a new phase before Draw Options are …
|
|
|
@1021
|
10 years |
toby |
more digits in size
|
|
|
@1020
|
10 years |
toby |
fix Matt's path bug; minor disagl cleanup
|
|
|
@1019
|
10 years |
vondreele |
few more fixes to exclude editing stuff
|
|
|
@1018
|
10 years |
vondreele |
a tweak of the excluded regions stuff
|
|
|
@1017
|
10 years |
vondreele |
implement excluded regions - 1st attempt
|
|
|
@1016
|
10 years |
vondreele |
remove PawleyDelete? - not used
fix floating point error in vcov matrix …
|
|
|
@1015
|
10 years |
vondreele |
allow delete of individual Pawley reflections
|
|
|
@1014
|
10 years |
vondreele |
background peak & Debye terms added to cif
|
|
|
@1013
|
10 years |
vondreele |
add output of profile coeff, background & size/mustrain/strain parms. …
|
|
|
@1012
|
10 years |
vondreele |
add svn header to G2cif.py and GSASIIpath to imports
add DEBUG to skip …
|
|
|
@1011
|
10 years |
vondreele |
fix updates of atom parms when RB parms are modified.
Edit Pawley tutorials
|
|
|
@1010
|
10 years |
toby |
more CIF work
|
|
|
@1009
|
10 years |
vondreele |
auto peak search for TOF - no duplicates either
small amendment to …
|
|
|
@1008
|
10 years |
vondreele |
make Auto peak search eliminate duplicates
|
|
|
@1007
|
10 years |
vondreele |
"improved" Pawley extraction by flipping negative intensitied to 1/2 …
|
|
|
@1006
|
10 years |
toby |
fix Bob's bug when multiple HKL files are read; pickup shelx …
|
|
|
@1005
|
10 years |
vondreele |
removed try/except for set focus items
fixed 'N' & 'P' key behavior …
|
|
|
@1004
|
10 years |
toby |
recapture focus on plot window so keyboard commands work
|
|
|
@1003
|
10 years |
vondreele |
put Hessian eds calc back where they were (maybe a bit cleaner now).
|
|
|
@1002
|
10 years |
toby |
fix page type
|
|
|
@1001
|
10 years |
vondreele |
tweak MC/SA
|
|
|
@1000
|
10 years |
vondreele |
small fit to export hkl
some fixes to phase tab startup.
|
|
|
@999
|
10 years |
toby |
cleanup: remove 2.6 binaries
|
|
|
@998
|
10 years |
vondreele |
make widths correct in Export HKLs from PWD data
|
|
|
@997
|
10 years |
vondreele |
implement export of hkl files extracted from powder data
|
|
|
@996
|
10 years |
vondreele |
put in missing bind for MC/SA calculation
|
|
|
@995
|
10 years |
vondreele |
remove extra imports, etc. from GSASIIddataGUI.py
Select page --> …
|
|
|
@994
|
10 years |
vondreele |
put back in oldPage stuff inadvertently deleted from GSASIIphsGUI
|
|
|
@993
|
10 years |
vondreele |
added 'C' to charge flip map key box
|
|
|
@992
|
10 years |
vondreele |
remove test prints
|
|
|
@991
|
10 years |
vondreele |
cov matrix scaling changes
new select page menu for phase pages - test …
|
|
|
@990
|
10 years |
toby |
mac fix for gltext; update docs
|
|
|
@989
|
10 years |
toby |
add constraint derivs for single xtal; allow cellFill to work without …
|
|
|
@988
|
10 years |
vondreele |
remove stray hyperlinks from gsasII.html
rework phase window resizing
|
|
|
@987
|
10 years |
vondreele |
GLUT eliminated! Now use gltext for all atom labelling
|
|
|
@986
|
10 years |
vondreele |
remove getFont using freetype
|
|
|
@985
|
10 years |
vondreele |
remove glFreeType & add gltext - works much better
implement gltext - …
|
|
|
@984
|
10 years |
vondreele |
update Win2.7 g77 binaries
cov matrix now not modified by lam
no label …
|
|
|
@982
|
10 years |
toby |
missed file: new Mac app with drag & drop for open
|
|
|
@981
|
10 years |
toby |
introduce regress option; fix esd printing; more docs; new Mac app …
|
|
|
@980
|
10 years |
toby |
rename to lower case for all but windows
|
|
|
@979
|
10 years |
toby |
rename to lower case for all but windows
|
|
|
@978
|
10 years |
vondreele |
make MC/SA fortran stuff all REAL*8
add glFreeType.py - doesn't work …
|
|
|
@977
|
10 years |
vondreele |
new 64 bit version
|
|
|
@976
|
10 years |
vondreele |
|
|
|
@975
|
10 years |
vondreele |
a few mods to HessianLSQ
|
|
|
@974
|
10 years |
vondreele |
undo debug lines
|
|
|
@973
|
10 years |
vondreele |
|
|
|
@972
|
10 years |
vondreele |
more fixups of MC/SA
|
|
|
@971
|
10 years |
vondreele |
update binwin2.7 with new G77 pyd files.
add mcsasubs to fsource …
|
|
|
@970
|
10 years |
vondreele |
more fixups of MC/SA
|
|
|
@969
|
10 years |
vondreele |
|
|
|
@968
|
10 years |
vondreele |
disable multiprocess stuff comment one line
|
|
|
@967
|
10 years |
vondreele |
periodic table
|
|
|
@966
|
10 years |
vondreele |
a bit of MCSA stuff
|
|
|
@965
|
10 years |
vondreele |
MCSA with fortran
|
|
|
@964
|
10 years |
vondreele |
|
|
|
@963
|
10 years |
toby |
more CIF work, more docs
|
|
|
@962
|
10 years |
vondreele |
implement multiprocessing for MC/SA calculations
|
|
|
@961
|
10 years |
vondreele |
fix rb constraints - useCount
fix Uij2Ueqv
mods to anneal algorithms …
|
|
|
@960
|
10 years |
toby |
check in CIF dev snapshot
|
|
|
@959
|
10 years |
vondreele |
added cell2GS & Uij2Ueqv
|
|
|
@958
|
10 years |
toby |
redo docs
|
|
|
@957
|
10 years |
toby |
redo docs
|
|
|
@956
|
10 years |
toby |
snapshot of CIF dev
|
|
|
@955
|
10 years |
vondreele |
fix periodic table (B & Al in wrong column!)
|
|
|
@954
|
10 years |
vondreele |
fix to Hessian LSQ to stop if lam > 10e5!
fix to rigid body quaternion …
|
|
|
@953
|
10 years |
vondreele |
fixes to RB refinement & MC/SA
|
|
|
@952
|
10 years |
vondreele |
fixes to MC/SA stuff
|
|
|
@951
|
10 years |
vondreele |
more on MC/SA
|
|
|
@950
|
10 years |
vondreele |
a few MC/SA changes
some work on GSASIImath docs
dummy string replaced …
|
|
|
@949
|
10 years |
vondreele |
changes to MC/SA stuff
|
|
|
@948
|
10 years |
toby |
update/reformat comments
|
|
|
@947
|
10 years |
toby |
update self-docs, start work on constraints object
|
|
|
@946
|
10 years |
toby |
update self-docs, start work on constraints object
|
|
|
@945
|
10 years |
vondreele |
some mods for POWGEN data for single peak fitting
unify profile parm …
|
|
|
@944
|
10 years |
vondreele |
fix l/r u/d issues in some images (MAR mostly)
|
|
|
@943
|
10 years |
vondreele |
more work on MC/SA
|
|
|
@942
|
10 years |
vondreele |
mods for MC/SA:
moved scat fac routines from GSASIIstrIO.py & …
|
|
|
@941
|
10 years |
toby |
fix Matts mac bug on switching phase tabs; start doc of phase …
|
|
|
@940
|
10 years |
vondreele |
conflicts fixed
|
|
|
@939
|
10 years |
toby |
fix & cleanup unit tests; add/change doc strings for sphinx; add all …
|
|
|