Fox has been updated to the new upstream version.
NEW FEATURES
- Add automatic least-squares refinement of the structure during a global optimization run
- Take into account rigid groups during least-squares refinement
- Working triclinic indexing
- Allow manual adding of peaks for indexing without a peak search
- Add manual least-squares refinement of the structure in the global optimization run/stop menu
- Better import of CIF files, using either the Hall symbol or the symmetry_equiv_pos_as_xyz fields to avoid ambiguous space group
- Enable auto-generation of powder patterns from a CIF file for both X-ray and neutron radiation
- When importing powder pattern CIF files, recognize both _pd_proc_2theta_range_XXX and _pd_meas_2theta_range_XXX
BUG FIXES
- Avoid deadlock (freezing fox) when using the 3D crystal view or the powder pattern graph
- Correct molecule rotation quaternion when using least squares
- Correct log(likelihood) calculation using integrated intensities (could cause invalid Chi^2 values when used without gui)
- Correct Fullprof export when 3 or more independent atoms are overlapping
- Work around visual c++ compilation bug during Fullprof export, that would output U U U instead of U V W parameters
- Updated cctbx (and boost) version – fixes compilation with gcc 4.4
- Enable importing Fenske-Hall zmatrices file both for human-written files (with whitespace between fields), and for strictly formatted files (sometimes without any space between fields)
- Avoid giving up when encountering parameters with the same name, notably for least squares refinements