November 29 2024, ver 2.3.5
1.Added export to MOL2 format
2.Fixed bug when reading CIF files with multiple data blocks
3.Resolved bug in the autoscale function for diffraction spectra
4.Fixed bug when reading Dicvol output with triclinic cells
5.Fixed other minor bugs
October 18 2024, ver 2.3.3
1. Fixed multiple bugs to enhance overall stability.
2. Enhanced support for electron diffraction.
September 8 2024, ver 2.3.2
1. Fixed a bug in the calculation of bond valence sum.
2. Other minor bugs have been fixed.
August 9 2024, ver 2.3.1
1. Fixed a critical bug related to undefined behavior in directive management.
2. Resolved an issue where deleting atoms using the dialog from Modify > Properties > Atom Properties caused errors.
3. Fixed various minor bugs across the application.
4. Introduced the XpdViewWidget class for viewing and manipulating diffraction spectra.
July 11 2024, ver 2.2.26
1. The number of directives for each command is now unlimited.
2. Added the cut directive.
3. Minor bugs have been fixed.
June 21 2024, ver 2.2.25
1. A bug that caused the GUI to freeze and become unresponsive during the simulated annealing procedure has been resolved.
2. The bug related to the ‘Cycle’ button has been fixed.
3. Minor bugs have also been addressed.
June 13 2024, ver 2.2.22
1. Fixed a bug in the generation of the restraints list from the Rietveld graphical interface.
2. Minor bugs have been fixed.
June 6 2024, ver 2.2.21
1. Fixed a bug in the space group determination dialog.
May 29 2024, ver 2.2.20
1. Minor bugs have been fixed.
May 28 2024, ver 2.2.19
1. Fixed error in the graphical interface of simulated annealing.
2. Fixed error in reading the output of the MOPAC program.
3. Improved enabling of actions in the crystal view menu.
May 24 2024, ver 2.2.18
1. Migrated GUI to Qt 6: The software’s user interface has been completely overhauled using the Qt 6 library, providing a modernized look and feel, enhanced performance, and improved cross-platform compatibility.
2. Several bug fixes.
Nov. 28 2018, ver 1.18.11
1. Fixed crash when loading old project from File > Old Project.
2. Fixed bugs related to the import of CIF files querying the COD
Sep. 17 2018, ver 1.18.09
1. Fixed crash when executing Rietveld method or real space method after direct methods.
2. Corrected error in printing antibump cost function in the output file during real space method with BB-BC.
3. Structure file in sdf format can be exported by graphic interface.
4. Minor bugs setting directive on bond valence restraints were corrected.
Sep. 26 2019, ver 1.19.09
1. Several bug fixes.
Jan. 31 2020, ver 1.20.01
1. Bugs in computing bond valence sums and global instability index have been fixed.
2. Directive bump can now be used to set weight of anti-bumping restraints.
3. Input file for Quantum ESPRESSO has been improved.
4. New directives intdof and extdof have been introduced to fix DOFs during solution by real space methods.
5. New directive res_target_type in Rietveld refinement.
6. Fixed bug running N-TREOR from command line on windows.
Mar. 2 2020, ver 1.20.03
1. Fixed bug running geometry optimization using the class OBForceField on Windows platforms.
2. Minor bug fixes and improvements in the use of anti-bumping restraints.