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Commits : Listings

Analyzed 4 months ago. based on code collected 6 months ago.
Oct 21, 2022 — Oct 21, 2023
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Allow multiple CPUs regardless of MPI for software that does not rely on MPI More... 12 months ago
- make markers the colour of the line in Muplot and anomDisp Plots More... 12 months ago
+1 on DISP stuff with brennan More... 12 months ago
+1 on default DISP source
pcxod
as oleg
More... 12 months ago
-include brennan as choice for default values and make brennan default More... 12 months ago
- mapping to asu the array and not the index set!
pcxod
as oleg
More... 12 months ago
! wrong level for the variable initialisation
pcxod
as oleg
More... 12 months ago
follow up the change of 'anom-disp' to 'anomalous-dispersion' -- so that switching/flashing now works again. More... 12 months ago
- making sure that all formula elements are covered when generating ED SFAC
pcxod
as oleg
More... 12 months ago
- more on SUMP - CIF + log reporting
pcxod
as oleg
More... about 1 year ago
- synch with cctbx - adding a possibility to use SUMP as restraint or constraint controllable through snum.smtbx.sum option of 'constraint' or 'restraint'
pcxod
as oleg
More... about 1 year ago
- reworking the order of the constraints to allow dependent occupancy (set through FVAR) to work with SUMP constraint. This is not a generic approach so far...
pcxod
as oleg
More... about 1 year ago
change of properties for anom-disp.htm More... about 1 year ago
small tweaks to the graphs -- mainly: making the mu plots four times the target size first, and then rescaling. More... about 1 year ago
+1 on anomdisp functionality after discussion with Horst More... about 1 year ago
new muplot and AnomDisp Plot and the table in the GUI More... about 1 year ago
do not remake images if they exist and are specifically requested More... about 1 year ago
add #scope to gui-link More... about 1 year ago
If cif is loaded, then get the item from olx.Cif, otherwise from spy.get_cif_item More... about 1 year ago
remove spurious quotation marks More... about 1 year ago
Using the keyword 'DEFBTN_' in the name -- this is for the tutorials/flashing the item. More... about 1 year ago
Add _olex2_refine_details More... about 1 year ago
reformatted PEP8 (no other changes) More... about 1 year ago
Add a few more moieties More... about 1 year ago
reinstate the K_alpha K_beta greek letter More... about 1 year ago
- Peng tables had Z vs Mr for atoms; the same has been copied to UCLA - updating with Mr from CAP tables
pcxod
as oleg
More... about 1 year ago
update with merged hkl for NoSpherA2 More... about 1 year ago
update for Linux pyscf More... about 1 year ago
update DISCAMB for ED More... about 1 year ago
- missing readonly value in journal selection
pcxod
as oleg
More... about 1 year ago