Autumn 2025

What's Changed

• Fix ifort cache by @richardicooper in #287
• Use windows-latest by @richardicooper in #288
• Ifx tests by @richardicooper in #289
• A version and workflow using new Intel LLVM fortran (and c++) compilers by @richardicooper in #290
• Fix ancient _N in filename bug by @richardicooper in #292
• Ifx except checks by @richardicooper in #293

Full Changelog: v15.4.4...v15.4.5

Spring 2025

Fix an annoying bug where the molecule disappears. Cause was instability in eigenvector calculation - now replaced with a different library method.

What's Changed

• Fix dls bug by @richardicooper in #278
• Fix disappearing mol by @richardicooper in #285

Full Changelog: v15.4.3...v15.4.4

July 2024

What's Changed

• Fix l25 display bug by @richardicooper in #276
• Avoid re-import of merged hkl data when solving structures in SHELXT by david watkin in #277

Full Changelog: v15.4.2...v15.4.3

June 2023

Fixed crash in summary file output if crystal colour string was too long.

May 2023

Updates to analysis plots.
Fix CRYSTALS version number in CIF output header
Allow > 1M reflections in input.
Various bug fixes.

v15.3.2 October 2021

Include VRFs for common PLATON alerts.
Add 'outliers' graph to analyse menu. Find data where abs(Fo-Fc)/sigmaW is large. Note "sigmaW" is 1/sqrt(w) - i.e. the sigma that would give rise to this weight if purely statistical weights were being used.
Update MCE version.
Synergy-S instrument added to L30.
Fix planar restraint template in editor.

v15.3.1 September 2021

Small fix to bond detection algorithm. Reverts bug introduced in March 2021.

v15.3.0 September 2021

This release fixes an OpenGL initialisation problem which affected Intel UHD graphics 620/630. It prevented popup labels and popup menus from appearing in the picture of the crystal structure.

v15.2.1

Switched fortran compiler to Intel oneAPI. Releases are now built using gh-actions. This is the first release using this compiler - please report any new (or old) bugs.

Changes since 15.0.1 (build 7809) May 2020

Switched to semantic version numbering (major.minor.patch). This is 15.2.1. The 7-character short SHA for the git commit is also included in the build to enable quick matching of version to the repository.
New startup dialog - lists recent dsc files, has quick access to workshop / demo files.
Prevent polygon selection in model from selecting hidden atoms
Flack and extinction now shown in info tabs in gui.
Added torsions to the CIF file.
Fix transformation of neutron data from res/hkl by shelx2cry.
Add quick script to allow manual translation and rotation of individual residues (usually molecules). Popup menu option.
Fix problem with update of twin information in gui panel.
Revert 2017 change to restraint derivative checks which could destabilize large refinements.
Fix problem with inexact fractions in transformation matrices when inputing HKL data.
Model now starts in ellipsoid view by default.

Cosmetic:

• fixed warn / error icon display, fixed transparency of bitmaps in dialogs, added tooltip to icons (not used yet).
• add units and greek symbols to information panel

November2020

15.0.2

Merge pull request #205 from ChemCryst/fix_for_repeated_scatt_factors…