|
|
@1750
|
8 years |
toby |
remove unused from trunk/Exercises
|
|
|
@1748
|
8 years |
toby |
Major cleanup of Tutorials (help) and Exercises
|
|
|
@1622
|
8 years |
vondreele |
add 4D charge flipping - works to give 3D structure; only enabled for …
|
|
|
@1603
|
8 years |
vondreele |
fix typo
|
|
|
@1539
|
9 years |
vondreele |
fix GOF & more supercell stuff
|
|
|
@1075
|
10 years |
vondreele |
implement new March-Dollase term in MC/SA
|
|
|
@1050
|
10 years |
vondreele |
Add error dialog for needing LS run once before setting constraints.
|
|
|
@1030
|
10 years |
vondreele |
mods to CIF export
add residuals to histogram GUI
save histogram …
|
|
|
@1024
|
10 years |
vondreele |
|
|
|
@1016
|
10 years |
vondreele |
remove PawleyDelete? - not used
fix floating point error in vcov matrix …
|
|
|
@1011
|
10 years |
vondreele |
fix updates of atom parms when RB parms are modified.
Edit Pawley tutorials
|
|
|
@1007
|
10 years |
vondreele |
"improved" Pawley extraction by flipping negative intensitied to 1/2 …
|
|
|
@1003
|
10 years |
vondreele |
put Hessian eds calc back where they were (maybe a bit cleaner now).
|
|
|
@991
|
10 years |
vondreele |
cov matrix scaling changes
new select page menu for phase pages - test …
|
|
|
@988
|
10 years |
vondreele |
remove stray hyperlinks from gsasII.html
rework phase window resizing
|
|
|
@984
|
10 years |
vondreele |
update Win2.7 g77 binaries
cov matrix now not modified by lam
no label …
|
|
|
@976
|
10 years |
vondreele |
|
|
|
@975
|
10 years |
vondreele |
a few mods to HessianLSQ
|
|
|
@970
|
10 years |
vondreele |
more fixups of MC/SA
|
|
|
@945
|
10 years |
vondreele |
some mods for POWGEN data for single peak fitting
unify profile parm …
|
|
|
@915
|
10 years |
vondreele |
RB now seem OK, SC now seem OK for F & F2 refinements.
|
|
|
@902
|
10 years |
vondreele |
|
|
|
@850
|
10 years |
vondreele |
fix problem with atoms with An+ style of valence
more places for size …
|
|
|
@849
|
10 years |
vondreele |
more work on rigid bodies - now put into crystal structures,
atom edit …
|
|
|
@840
|
10 years |
vondreele |
define torsion sequences in RBs
show/hide bonds between map peaks with …
|
|
|
@825
|
10 years |
vondreele |
small fixes to restraint processing
|
|
|
@820
|
10 years |
vondreele |
restraints development - almost done
works for bonds, angles, planes & …
|
|
|
@819
|
10 years |
vondreele |
restraint fixes
|
|
|
@815
|
10 years |
vondreele |
another hot key
more restraint development
|
|
|
@812
|
10 years |
vondreele |
add restraint macro files
fix a triclinic error in genHlaue
continue …
|
|
|
@808
|
10 years |
vondreele |
Add Babinet modification to form factors - works OK
Use atom Ids for …
|
|
|
@806
|
11 years |
vondreele |
test
|
|
|
@641
|
11 years |
toby |
add support for zipped data and zip up largest exercise files
|
|
|
@612
|
11 years |
vondreele |
complete combined x/n exercise & fix bugs uncovered in process
made …
|
|
|
@578
|
11 years |
vondreele |
fix "hard" Hessian singular matrix problems - now deletes parameters …
|
|
|
@568
|
11 years |
vondreele |
remove gsas data window placement
moved peaks are C atoms
start on a …
|
|
|
@560
|
11 years |
vondreele |
|
|
|
@543
|
11 years |
toby |
new exercise
|
|
copied from Examples/powder data/kryptonite:
|
|
|
@542
|
11 years |
vondreele |
|