Differences

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--- changelog [2026/05/10 20:55] – Michael Böhme
+++ changelog [2026/09/01 11:38] (current) – [v2026.08.0 – 2026-08-31] Michael Böhme
@@ Line 1: / Line 1: @@
 ====== Changelog ======
-~~NOTOC~~ \\
+~~NOTOC~~
-===== v2026.05.0 – 2026-05-10 =====
+===== v2026.09.0 – 2026-09-01 =====
-=== Added ===
+This is a hot-fix release which fixes a regression that was introduced in ''v2026.08.0''.
-  * Added calculation of periodic electron density (promolecule model).
-  * Enabled clipboard export for powder diffraction patterns.
-  * Introduced depth-enhancing edge outlines to improve spatial clarity of complex structures.
-  * "Reset Structure" command to quickly restore the initial camera orientation and view settings.
-  * Support for Endeavour data files (.edf).
-  * Support for Intel ARC GPU architectures.
 === Changed ===
-  * Enhanced GPU compatibility across a wider range of hardware configurations.
+  * Updated copyright message.
-  * Improved parsing for PowderCell (.cel) and XYZ (.xyz) files.
-  * Small UI improvements (Navigator).
-  * Updated navigator notes to support multi-line formatting for detailed annotations.
-  * Upgraded UI and visualization frameworks (Dear ImGui v1.92.7, ImPlot v1.0, ImPlot3D v0.4).
 === Fixed ===
-  * Added missing runtime dependencies for the Windows distribution.
+  * Fixed an issue introduced in ''v2026.08.0'' which prevented files from being saved that did not previously exist.
-  * Corrected dark shading artifacts on voxel data caused by inverted SSAO normals.
-  * Disabled hover highlighting during camera rotation to prevent visual interference.
-  * Fixed a regression that caused duplicate bonds in molecular structures.
-  * Fixed an issue where atoms with Uiso = 0 in CIF files were incorrectly hidden.
-  * Fixed mouse inputs while resizing structure viewports.
-  * Fixed surface normal calculation in the Marching Cubes algorithm for accurate isosurface generation.
-  * Improved detection of Vulkan runtime libraries across different system environments.
-  * Preserved surface transparency when applying color presets.
-  * Resolved crashes during application shutdown related to Vulkan synchronization and Qt message handling.
-  * Resolved periodic boundary artifacts causing incorrect surface repetition in monoclinic and triclinic crystal systems.
 \\
-===== v2026.03.3 – 2026-03-31 =====
-=== Added ===
+===== v2026.08.0 – 2026-08-31 =====
-  * AppImage for GNU/Linux.
+=== New ===
-  * More SIMD-Instructions.
-=== Changed ===
+  * Added camera translation (linear movement) as a new animation type for image sequence exports.
+  * Added unit cell parameters and symmetry operations to the Inspector for easier structural analysis.
-  * Improved GNU/Linux integration.
+  * Enhanced file integrity: shapeXT files now include unique identifiers and version tracking.
-  * Improved macOS integration.
-  * Moved to customly build Qt 6.11.0 libraries.
-  * Removed all boost bindings.
-  * Some Vulkan error messages.
-=== Fixed ===
-  * Blacklisted KosmicKrisp driver (macOS).
-  * Tooltip for implicit hydrogen atoms.
-\\
-===== v2026.03.2 – 2026-03-18 =====
-=== Added ===
-  * Add Centroid from Selection (Periodic).
-  * Aspect ratio for views can be fixed.
-  * Check for FMA instruction sets (x86_64).
-  * Improved general usage of SIMD instructions.
-  * Reference axes can be added and moved.
-  * PD gets updated when atoms are moved.
-  * UTF-8 manifest (Windows).
 === Changed ===
-  * Default lights.
+  * PXRD plot line colors now automatically adapt to the application theme.
-  * Default atom radii (20% of vdW radii except H).
+  * Refined the default angles for the scissoring animation in image sequence exports.
-  * Default reference axes style.
-  * Disabled low-memory mode.
-  * Improved performance of bond determination.
-  * Improved performance of growing a structure.
-  * Improved performance of loading files.
-  * Improved performance of reduce structure.
-  * Improved performance of screen rect selections.
-  * Improved performance of transparent objects.
-  * Improved performance of undo/redo.
-  * Improved SSAO quality.
-  * Increased maximum object count from 1M to 16.7M.
-  * Minimum font size for initial vector labels.
 === Fixed ===
-  * Atoms on cell edges causing too many unit cell atoms.
+  * Fixed an input conflict where keyboard commands would trigger in the structure view while a text field was focused.
-  * Fix UTF-8 encoding issues (Windows).
+  * Fixed an issue where the ''Expand All Symmetry-Equivalent/Identical'' command failed to include the initially selected atom.
-  * Growing initial structure produced redundant atoms/bonds.
+  * Fixed a bug where the atom and bond lists failed to refresh correctly after a structure reset.
-  * Load/save active view.
+  * Resolved a crash occurring at startup when a recent file was inaccessible due to system permission restrictions.
-  * Reset zoom in perspective projection.
+  * Resolved a display issue where atoms in the asymmetric unit or unit cell would disappear if the first atom in the set was invalid.
-  * Thread-safe event handling.
-  * Truncated decimals in special fractional coordinates.
-  * Vulkan pipeline barrier.
 \\
-===== v2026.03.1 – 2026-03-06 =====
+===== v2026.07.3 – 2026-07-26 =====
-=== Added ===
+This update focuses on UI refinement and workflow optimization, while resolving several inconsistencies.
-  * Added more error messages for CIF parsing errors.
+=== New ===
-  * Added soft/hard limits for filling a cell range.
-  * Create centroid dummy atom from selected atoms.
-  * Create MIME-types for ''.sxt'' and ''.jsxt'' files (GNU/Linux).
-  * Focus object with middle mouse button in atom/bond/angle list.
-  * Toggling structures via ''Tab''/''Shift+Tab'' key.
-=== Changed ===
+  * Added a column to the atom list to display Wyckoff positions.
+  * Added a visual indicator to signal when the bond list is filtered by bond type.
-  * Changed depth buffer to reverse-z direction.
+  * Added LaTeX export functionality for the atom list.
-  * Improved CIF parsing.
+  * Added tooltips for atoms and bonds within the atom list, bond list, and Navigator window.
-  * Improved initial structure (unit cell)
+  * Atom tooltips now display anisotropic displacement parameter (ADP) data, where available.
-  * Improved lighting.
+  * Bond tooltips now display the assigned bond type.
-  * Improved reset zoom.
+  * Integrated missing keyboard shortcuts into the main menu.
-  * Improved performance of bond determination.
+  * Introduced a ''Set View Direction'' dialog for camera orientation.
-  * Improved performance of huge atom/bond/angle lists.
+  * Tooltips for atoms and bonds in the atom list, bond list, and the ''Navigator'' window.
-  * Naming convention for structures (''FID.SID'').
-  * Reduced limits for surface repeating.
-  * Reduced number of boost bindings.
-  * Removed the plus icon (file bar).
-  * Set minimum caption size for docked windows.
-=== Fixed ===
-  * Accuracy of the z-buffer in orthographic projection.
-  * Crash when Navigator window got too small.
-  * Freeze when loading ''.dsf''/''.diamdoc'' with special CP1252 characters.
-  * Grow structure after structure reset.
-  * Hide huge ellipsoids by default.
-  * Invisible imported 3d surfaces.
-  * Orientation of multiple bonds.
-  * Stop camera rotation when image (sequence) rendering.
-\\
-===== v2026.03.0 – 2026-03-02 =====
-=== Added ===
-  * A lot more background presets.
-  * A lot more surface presets.
-  * Descriptions for symmetry operations.
-  * Dialog window to calculate surfaces (Properties→Calculate Surface).
-  * Expand All Symmetry-Equivalent/Identical Copies.
-  * New surface calculation types: vdW Surface, Contact Surface.
-  * Preview of background presets.
-  * Surface styles are read from config file (''Config/Surfaces.toml'').
-  * Timing statistics on image sequence export.
 === Changed ===
-  * Adjusted existing background presets.
+  * Disabled camera adjustment during ''Expand Atoms'' when holding Ctrl to ensure consistency.
-  * Color gradient calculation for backgrounds.
+  * Improved the formatting of atom and bond tooltips for better readability.
-  * Improved performance of surface calculations (not parallelized yet).
+  * Optimized the layout of the ''View'' context menu in the structure view.
-  * Preview of background presets.
+  * Set the default reference axes to display crystal coordinates.
+  * Updated the atom list to display non-normalized coordinates for the asymmetric unit.
 === Fixed ===
-  * Bug in Vulkan initialization.
+  * Corrected the sorting logic for the asymmetric unit and unit cell within the atom list.
-  * Loading/Saving non-orthogonal surface grid vectors.
+  * Fixed a bug where the selection box would incorrectly select the first entity in the structure (typically the reference axes).
-  * Rendering of multiple bonds.
+  * Fixed a rendering issue where labels and other objects failed to update after undo/redo operations.
-  * Resetting the zoom level when expanding an atomic coordination sphere.
+  * Resolved a conflict where redundant atom definitions in CIFs led to inconsistent structure growth.
-  * UI theme issues.
+  * Resolved an issue where expanding a structure from an initial structure produced displaced atoms in specific scenarios.
 \\
-===== v2026.02.2 – 2026-02-28 =====
+===== v2026.07.2 – 2026-07-18 =====
-=== Added ===
+This update improves the general workflow with chemical structures and fixes some inconsistencies.
-  * Build→Remove All to remove all objects of a certain type.
+=== New ===
-  * More options in the image sequence export dialog.
-  * Reset structure (Build→Reset Structure)
-  * Two new UI themes (Steel, Steel Dark).
-  * Tooltips in image sequence export dialog.
-=== Changed ===
-  * Improved initial camera.
-  * Default UI themes (Default, Default Dark).
-  * Draw unit cell atoms by default (CIF, SHELX).
-  * Use nearest sampling for structures (Vulkan).
-=== Fixed ===
-  * Removed notification when simulated image sequence is cancelled.
-  * Save settings in image sequence export (simulation).
-  * Wrong color for sidebar background color.
-\\
-===== v2026.02.1 – 2026-02-27 =====
-=== Added ===
-  * Alternative selection color.
+  * Added a ''Remove All -> Weak Interactions'' command to specifically delete hydrogen bonds, van der Waals, and metallophilic interactions.
-  * Export image sequences.
+  * Added an ''Apply'' button to the bond determination dialog; internal molecule definitions can now be updated too.
-  * More options to add polyhedra via the atom popup menu.
+  * Added descriptive tooltips and implemented previously missing shortcuts for mouse actions.
-  * Polyhedra can be moved on screen.
+  * Atom, bond, and bond angle lists now support both sorting and multi-selection.
-  * Polyhedra selection mode.
+  * Bond determination parameters are now saved within ''shapeXT'' files, ensuring consistent settings across sessions.
-  * Presets for image sizes in image export dialog.
+  * Electron density calculations can now be performed while excluding specific atoms.
-  * Select molecule(s).
+  * Introduced shortcut ''C'' to complete a structure.
-  * Usage of much more SIMD instructions (x86_64).
+  * Surface calculations can be targeted to specific selected atoms or configured to exclude selected atoms.
+  * Users can now select or delete entire molecules by holding ''Ctrl'' while clicking on an individual atom or bond via the ''Select Objects'' and ''Delete Objects'' actions.
 === Changed ===
-  * Changed FXAA parameters.
+  * Adjusted default settings: Unit cell visualizers (box, arrows, and labels) are no longer created by default.
-  * Deactivated Vulkan validation layer by default.
+  * Increased the default minimum bond length to 0.6 Å.
-  * Default selection mode (add).
+  * Optimized GPU utilization in certain situations when managing multiple open structures.
-  * Defined maximum rendered image size (can be adjusted in ''Config/Vulkan.toml'').
+  * Updated the ''P'' shortcut to toggle the on-screen drawing tool (double-tap ''P'' to clear).
-  * Disabled a lot of debug messages.
-  * Enabled FXAA + MSAA4 by default.
-  * Improved file loading times.
-  * Improved performance for coordinate transformations (SIMD).
-  * Improved performance of bond determination (SIMD).
-  * Improved initial camera (snapping of orientations).
-  * Improved small GPU buffer updates (Vulkan).
-  * Improved UI of dialog windows.
-  * Increased maximum number of undo steps.
-  * Increased step size for on-screen rotation (Ctrl+Shift+Left/Right)
-  * Sidebar UI polishing.
-  * Updated URL of the shapeXT Wiki.
 === Fixed ===
-  * Ctrl+Shift+S does move the camera and saves the file.
+  * Fixed a regression introduced in v2026.07.1 that caused the over-detection of hydrogen bonds.
-  * CIF loading with missing columns in atom loop.
+  * Fixed an issue where atoms were displaced due to internal coordinate snapping while growing periodic structures.
-  * Cylinder mesh.
+  * Resolved an issue where dative bonds were incorrectly categorized as "custom" bonds in the bond list.
-  * Export of huge images.
-  * Gamma correction.
-  * Incorrect size for polyhedron edges/nodes.
-  * Detection of Wyckoff positions.
-  * Respect alpha buffer limits.
-  * Selection filters.
-  * Tone mapping (Hable 2010).
-  * Unnecessary buffer updates per frame when labels are shown.
 \\
-===== v2026.02.0 – 2026-02-19 =====
+===== v2026.07.1 – 2026-07-13 =====
-=== Added ===
+=== New ===
-  * Calculation of dipole moments.
+  * Enhanced the ''Build → Determine Bonds...'' workflow by introducing a dedicated settings dialog.
-  * Display of double and triple bonds.
+  * Implemented a ''Fill Asymmetric Unit'' command, allowing users to generate only the asymmetric unit.
-  * Experimental void space calculation.
-  * Label rotations.
-  * Light positions can be edited.
-  * Moving (multiple) atoms while respecting symmetry (experimental).
-  * Set center of rotation dialog.
-  * Support of implicit (attached) hydrogen atoms.
-  * Thermal ellipsoids have now two colors (bright and dark objects).
 === Changed ===
-  * COD structure import from self-hosted server.
+  * Refined the handling of initial asymmetric units; coordinate shifts to the ''[0; 1)'' range are no longer applied automatically, ensuring better data consistency.
-  * Improved handling of hydrogen bonds.
+  * Set ''Asymmetric Unit + Complete Fragments'' as the new default for initial structures (CIF/SHELX).
-  * Improved initial camera for non-periodic structures.
+  * The view no longer auto-adjusts when completing a single fragment via an atom's context menu.
-  * Improved reduce structure.
-  * Improved SSAO.
-  * Improved UI.
-  * Improved viewport popup menu.
-  * Merged atom styles.
-  * mmCIF files are being detected (but is still unsupported).
-  * Slightly larger spacing in main menu.
-  * Parsing of CIFs for symmetry equivalent atoms.
-  * Thermal ellipsoids are not shown for hydrogen atoms by default.
-  * Updated to Qt v6.9.3.
 === Fixed ===
-  * Camera position after filling a supercell.
+  * Corrected a bug where valid hydrogen bonds were being removed due to angle checks.
-  * Create OSD text label at right click position.
+  * Ensured that minimum and maximum bond length constraints are strictly enforced.
-  * COD structure import shows the total file size.
+  * Fixed an issue in the ''Calculate Electron Density'' dialog that prevented changing the calculation mode while atoms were selected.
-  * Displayed color of thermal ellipsoids.
+  * Resolved an issue where the CShM algorithm could hang on specific edge-case geometries.
-  * Growing of DSF/Diamdoc structures.
-  * Handling of symmetry operations in DSF/Diamdoc structures.
-  * Loading of Uiso/Biso data (CIF) when no ADP type is given.
-  * Vectors with direction (0, 0, -1).
 \\
-===== v2026.01.0 – 2026-01-30 =====
+===== v2026.07.0 – 2026-07-11 =====
-=== Added ===
+This update introduces automated molecule detection and enhances the initial view configuration when loading new structures.
-  * Loading of Diamdoc files.
+=== New ===
-  * Loading of DSF files.
-  * Loading/Saving of OSD drawings.
-  * OSD drawings are now exported in image files.
-=== Changed ===
-  * Improved loading times of structures.
-  * Improved start-up time when MSAA is activated.
-  * Improved user feedback messages (delete empty selection, reset view/rotation/zoom).
-=== Fixed ===
-  * Broken labels after changing the MSAA level.
-  * Convex hull calculation.
-  * Detection of hydrogen bonds.
-  * Detection of metallophilic interactions.
-  * Disabled lighting for objects.
-  * Orientation of thermal ellipsoids in triclinic and monoclinic systems.
-  * Single-colored bond colors.
-  * Transparent stripes in rendered images.
-\\
-===== v2025.11.1 – 2025-11-26 =====
-=== Added ===
-  * Export to 3D data formats (glTF, glB, USD, OBJ, PLY, STL).
+  * Implemented automated molecule detection.
-  * Frustum culling in LOD compute shader.
+  * Molecules can now be selected or toggled (hidden/shown) via the Navigator window.
-  * Select atoms by SOF.
+  * Molecules/fragments can now be completed via ''Build -> Complete Fragments''.
+  * Specific molecules/fragments can now be completed via ''Complete Fragment'' (right click on an atom).
+  * Specific molecules/fragments can now be completed via the ''Expand Atoms'' mouse action by clicking on an atom while holding the ''Ctrl'' key.
+  * Added customization for initial structure visualization via ''Settings -> Default View''.
+  * Added support for selecting a fractional coordinate origin for periodic surface calculations.
+  * Added support for VASP file formats (POSCAR/CONTCAR).
 === Changed ===
-  * Default mesh sizes for atoms.
+  * Update notifications can now be dismissed using the ''Esc'' or ''Enter'' keys.
-  * Far clipping plane.
-  * Improved cylinder rendering.
-  * Improved LOD shader.
-  * Improved vertex mesh data.
-  * Improved SSAO blurring compute shader.
-  * Improved SSAO shader performance.
-  * Index buffers now use 16-bit values instead of 32-bit.
-  * Updated to Dear ImGui v1.92.5.
-  * Updated to EnTT v3.16.0.
-  * Updated to fmt v12.1.0.
 === Fixed ===
-  * Handling of swapchain images when rendering was delayed.
+  * Corrected aspect ratio scaling for structure preview renderings.
-  * Invisible OSD labels when loading a structure.
+  * Custom settings for bond detection have not always been applied.
-  * Use correct unit for bond labels.
+  * Fixed parsing of FVAR-based SOF (occupancy) values within the SHELX file format.
-  * Vulkan validation layer warnings.
+  * Resolved an issue parsing floating-point values with leading '+' signs in input files (Linux).
 \\
-===== v2025.11.0 – 2025-11-10 =====
+===== v2026.06.1 – 2026-06-20 =====
-=== Added ===
+This release addresses a stability issue affecting Intel integrated graphics on Windows that caused shapeXT to crash on startup for these users.
-  * Add polyhedra to selected atoms.
-  * Bounding boxes for surfaces.
-  * Changing views.
-  * Custom colors for structure windows.
-  * Cycle views.
-  * Detection of metallophilic interactions.
-  * Drawing on-screen.
-  * Hybridization for atoms.
-  * Introduced a spatial shift for labels.
-  * More simulation types of color vision deficiencies.
-  * New views can be added.
-  * Reimplemented MSAA.
-  * Updated to Dear ImGui v1.92.4.
 === Changed ===
-  * Display menu overhaul.
+  * Preferences are now preserved across updates. The settings will no longer reset after launching a new version.
-  * Improved hydrogen bond detection.
+  * When using "Select Molecule" (''Ctrl+M'') with nothing currently selected, the app will now automatically select the last focused molecule.
-  * Improved lighting and SSAO parameters.
-  * Improved preview rendering strategy.
-  * Improved some shader bindings.
-  * Improved surface rendering (fp16 support).
-  * Renamed "Cycle View" to "Cycle Alignment".
-  * Removed OpenFontIcons dependency.
-  * Significantly improved rendering performance.
-  * Views can have notes.
 === Fixed ===
-  * Bug in hydrogen bond detection.
+  * Fixed a crash issue for users with Intel integrated GPUs on Windows.
-  * Cylinder mesh.
+  * Fixed an error where chemical bonds appeared incorrectly on Intel integrated GPUs.
-  * Labeling of hydrogen bonds.
-  * Pasting UTF-8 characters.
-  * Polyhedron edges can have a zero width (invisible).
-  * SSAO for far distances in perspective view.
-  * Swap chain recreation on Linux.
-  * Thermal ellipsoid lines can have a zero width (invisible).
-  * Warnings of the Vulkan validation layer.
 \\
-===== v2025.09.0 – 2025-09-30 =====
+===== v2026.06.0 – 2026-06-16 =====
 === Added ===
-  * Boxes can be created.
+  * Added customizable atom and bond visual styles.
-  * Calculation of atomic charges with QEq and QEq-H.
+  * Added support for dative (coordinate) bonds.
-  * Feature "Add Polyhedra to Metal Centers".
+  * Bond list now supports filtering by bond type.
-  * Labels (a/b/c) for the unit cell axes.
+  * Bond angle measurements can now be copied to the clipboard for easy export.
-  * Show a hint when a structure is cached (COD import).
+  * Bond Valence Sum (BVS) calculations with user-defined reference parameters.
-  * Tone Mapping support.
+  * New settings dialog with a "Default View" configuration option.
-  * Unit cell (if present) is shown in the navigator.
+  * New dialog for adding atom vectors.
+  * Automatic calculation of estimated standard uncertainties (ESD) for unit cell volume.
+  * Support for reading estimated standard deviations (e.s.d.) of cell parameters from CIF, SHELX, and DSF files.
+  * Windows: Structure files can now be associated with shapeXT for seamless integration.
 === Changed ===
+  * Dark mode is now the default UI theme.
-  * Periodicity and unit cell box are now separated.
+  * Updated and reorganized example structure files.
-  * Updated to fmt v12.0.0.
+  * Enhanced SSAO (ambient occlusion) rendering for smoother molecular surface shading.
+  * Improved built-in updater.
+  * Removed visual transitions during image sequence rendering for more accurate frame-by-frame output.
+  * Background settings are now view-specific, allowing different backgrounds for each saved view.
+  * Updated to Dear ImGui v1.92.8, ImPlot v1.1 WIP, and Qt 6.11.1.
+  * macOS builds are now code-signed and notarized.
+  * Refined layout and usability of the Hierarchy and Navigator panels.
+  * Graphics initialization now properly synchronizes with the main window to prevent startup crashes.
 === Fixed ===
-  * Display of non-Cartesian surface data.
+  * Bond angle list now updates in real time when structures change.
-  * Moved the "invisible icon" to the right due to overlap.
+  * Fixed preview rendering to no longer display unwanted object outlines.
-  * Some fixed dialog window sizes.
+  * Resolved SSAO rendering artifacts (bright halos and incorrect dark shading).
-  * Undo remove periodicity.
+  * Fixed loading of PNG files containing embedded molecular/crystal data.
+  * Improved handling of non-periodic (finite) structures in COSMOS (.coo) files.
+  * Fixed on-screen label rendering caused by depth buffer inversion.
+  * Resolved transparency rendering issues on Intel Arc GPUs.
+  * macOS builds now include MoltenVK to ensure reliable Vulkan support.
+  * Fixed library path resolution (RPATH) for Linux distributions.
 \\
-===== v2025.08.0 – 2025-08-30 =====
-=== Added ===
-  * Camera roll (horizontal/vertical).
-  * Dialog when closing the app with unsaved changes.
-  * Dialog when closing a structure with unsaved changes.
-  * Select area button.
-=== Changed ===
-  * Improved sidebar.
-  * Slight performance improvements of bond determination.
-  * Updated to nlohmann/json v3.12.0.
-=== Fixed ===
-  * Convex hull algorithm.
-  * List of recent files.
-  * Pasting of line styles.
-\\
-===== v2025.07.0 – 2025-07-28 =====
-=== Added ===
-  * Alpha buffer size can be changed in the ''Config/Vulkan.toml'' config file.
-  * Atom scaling factor can be changed.
-  * Bond valence sum calculation.
-  * Reducing structure and selections.
-  * Rendering of labels.
-  * Rendering of thermal ellipsoids.
-  * Rendering of polyhedra.
-  * Rendering of vectors.
-  * Setting the alpha buffer size to zero completely disables transparency.
-  * Structure-based scaling factors.
-  * Structure properties can be edited in the Inspector.
-  * Support for smaller geometry meshes (fp16).
-  * Visible Solid Angle.
-=== Changed ===
-  * Apply the FixAMDSwitchableGraphics fix also to target platforms other than Windows.
-  * Behavior when clicking on the background.
-  * Enable half-precision vertex data by default when supported by the GPU.
-  * Improved CShM algorithm.
-  * Improved Distance List.
-  * Improved FXAA quality.
-  * Improved out-of-box experience.
-  * Improved Powder Pattern.
-  * Improved SSAO quality.
-  * Improved UI (Inspector).
-  * Improved UI (Structure View).
-  * Increased render performance by approximately 10%.
-  * FXAA configuration parameters.
-  * Object selection behavior.
-  * Optimized GLSL shaders.
-  * Reduced mouse sensitivity for zooming.
-  * Updated to Dear ImGui v1.91.9b.
-  * Updated to fmt v11.1.4
-  * Updated to Qt v6.9.0
-  * Updated to VMA v3.3.0
-=== Fixed ===
-  * Asymmetric unit in the structure loader.
-  * Slow window resizing on Linux (regression from v2025.02.4).
-  * Vertices for ''JASPC-11'' and ''JSPMC-12''.
-\\
-===== v2025.02.5 – 2025-02-27 =====
-=== Added ===
-  * Inspecting view properties in the Inspector.
-  * Selection mode and filter can be changed via the structure pop-up menu.
-  * ''version.txt'' file to identify the current release.
-=== Changed ===
-  * Slightly improved object selection behavior.
-=== Fixed ===
-  * Vulkan device enumeration on Windows with an integrated AMD GPU and a dedicated NVIDIA GPU.
-\\
-===== v2025.02.4 – 2025-02-26 =====
-=== Added ===
-  * Command-line options for GPU selection (''%%--%%dedicated-GPU'', ''%%--%%integrated-GPU'', ''%%--%%software-GPU'').
-  * Growing structure feedback.
-  * macOS support (experimental).
-=== Changed ===
-  * Fatal error message when Vulkan device functions cannot be loaded.
-  * Simplified printing of version data (''%%--version%%'').
-=== Fixed ===
-  * Crash in PXRD simulation when periodicity got removed and recovered again.
-  * Enumeration of physical Vulkan devices.
-  * Recovering unit cell data after undo.
-\\
-===== v2025.02.3 – 2025-02-17 =====
-=== Fixed ===
-  * Crash on Windows with multi-monitor setup.
-\\
-===== v2025.02.2 – 2025-02-17 =====
-=== Fixed ===
-  * shapeXT did not start due to ''vkEnumeratePhysicalDevices'' returning no devices.
-\\
-===== v2025.02.1 – 2025-02-17 =====
-=== Fixed ===
-  * Alignment of mouse action buttons.
-  * shapeXT did not start due to ''vkEnumeratePhysicalDevices'' returning ''VK_INCOMPLETE''.
-\\
-===== v2025.02.0 – 2025-02-17 =====
-=== Added ===
-  * 3d look for unit cells.
-  * Better mouse navigation.
-  * Command-line option for importing COD structures (''%%--%%import-COD 1000000'').
-  * Detection of ray tracing support.
-  * Only structures of the currently selected file can be displayed.
-=== Changed ===
-  * Avoid re-downloading of already downloaded COD structures.
-  * Improved Hall symbol parsing (CIF).
-  * Improved input handling system.
-  * Improved metal--donor bond detection.
-  * Improved symmetry operation parsing (CIF).
-  * Reduced ''.jsxt'' file sizes by approximately 25%.
-  * Updated to Dear ImGui v1.91.8.
-  * Updated to ImPlot3D v0.2.
-  * Updated to VMA v3.2.1.
-=== Fixed ===
-  * Crash when no views were defined in ''.sxt'' and ''.jsxt'' files.
-  * Displayed unit cell origin can be moved.
-  * Error message on first start on Windows.
-  * Loading and parsing of CIFs.
-  * Moving the origin of the displayed unit cell.
-  * Undo action crashed the app when a periodic structure was loaded.
-\\
-===== v2025.01.0 – 2025-01-27 =====
-=== Added ===
-  * About window.
-  * Bright UI theme.
-  * Asymmetric unit (periodic structures).
-  * Cycle view (Shortcut: ''V'')
-  * Improved structure handling (duplicate, import, remove).
-  * Multiple structures per file.
-  * Overlay progress bar when a structure is loaded or imported.
-  * Reset view.
-  * Rotation of structures in Cartesian reference frame.
-  * Rotation of structures in crystallographic reference frame.
-  * Spherical background gradient.
-  * Symmetry operation list (periodic structures).
-  * Threaded loading of structure files.
-  * Toolbar with opened files.
-  * UI theme support.
-  * Unit cell atom list (periodic structures).
-  * Van der Waals interactions.
-  * WIP watermark.
-  * Wyckoff positions.
-=== Changed ===
-  * Consider hyphens in bond list filter.
-  * Default appearance of reference axes.
-  * Default FOV.
-  * Extended shapeXT file format.
-  * Gallery improvements.
-  * Improved background shader.
-  * Improved CHN analysis.
-  * Improved FXAA settings.
-  * Improved main menu.
-  * Improved parallelization for bond detection.
-  * Improved SSAO shader.
-  * Lines are rendered as 3d cylinders.
-  * Message of the first run.
-  * More intuitive behavior when clicking on "Negative Colors".
-  * Moved rotation into viewport taskbar.
-  * Renamed "remarks" to "notes".
-  * Renamed window "Structures" to "Navigator".
-  * Structure categories overhaul.
-  * Switched to the C++23 standard.
-  * UI style overhaul (frame rounding).
-  * Updated to ctre v3.9.0.
-  * Updated to Dear ImGui v1.91.6.
-  * Updated to toml++ v3.4.0.
-  * Version naming scheme.
-  * Visibility of entity types (atoms, bonds, etc.) is defined per structure.
-=== Fixed ===
-  * Crash when loading multiple files.
-  * Error messages not showing up.
-  * Hide fractional coordinates in non-periodic structures.
-  * Image aspect masks (Vulkan).
-  * Image rendering when viewport was re-opened.
-  * Initial camera in the perspective projection.
-  * Missing bond labels after fill.
-  * Missing Qt icons (Linux).
-  * Race condition when loading multiple files fixed.
-  * Rendering bug with non-maximized structure windows when the main window was resized.
-  * UTF-8 filenames (Windows).
-  * Vulkan synchronization.
-\\
-===== v0.5.7 – 2024-08-12 =====
-=== Added ===
-  * Calculation of moment of inertia.
-  * Check for online updates.
-  * Copy images to clipboard.
-  * Create desktop files (Linux only).
-  * Embed structure data into PNG files.
-  * Examples menu entry.
-  * Gallery window.
-  * Gamma correction.
-  * Growing periodic structures.
-  * Inspector window.
-  * Import of volumetric data (CUBE, PLT, 3D).
-  * License checks.
-  * Loading structures.
-  * More tooltips.
-  * Reading CUBE, CIF, PowderCell, and SHELX files.
-  * Preview generation.
-  * Saving images.
-  * Saving structures.
-  * Screen Space Ambient Occlusion (SSAO).
-  * Simulation of powder X-ray diffraction pattern.
-  * Simulation of color vision deficiency.
-  * SSAO levels.
-  * Surface Rendering.
-  * Surface Import.
-  * Transparency support.
-  * Undo/Redo actions.
-  * User feedback.
-=== Changed ===
-  * Dynamic rendering in Vulkan backend.
-  * Improved main menu and sidebar.
-  * Improved illumination system.
-  * Transformed some graphics shaders into compute shaders.
-  * Unit cell can be hidden.
-  * Updated to Dear ImGui v1.90.9.
-  * Updated to EnTT v3.13.2.
-  * Updated to fmt v11.0.1.
-  * Updated to Qt v6.7.2
-=== Fixed ===
-  * Popup menu in viewports.
-  * Use of 32-bit depth buffers.
-\\
-===== v0.5.6 – 2023-09-21 =====
-=== Added ===
-  * Automated build process for Windows and Linux.
-  * Background color can be changed.
-  * Camera view along crystallographic and Cartesian axes.
-  * Check for ''AVX'' and ''AVX2'' CPU instruction sets.
-  * CHN analysis.
-  * CShM data export (''.csv'', ''.tsv'', ''.json'')
-  * Command line option to reset settings (''--reset'').
-  * Command line options for logging ( ''--log-to-file'', ''--log-to-stdout'', ''--log-to-stderr'').
-  * Conditional rendering of viewports.
-  * Console window.
-  * Filling cell ranges.
-  * Level of detail.
-  * Objects can be hidden via the structure list.
-  * On-screen notifications.
-  * Periodicity can be removed.
-  * Search filter in the structure list.
-  * Structures can be closed and reopened via the menu.
-  * Toolbar in viewport.
-=== Changed ===
-  * Coordinates are internally processed in double precision (64-bit)
-  * Disabled the unimplemented buttons in the sidebar.
-  * Disabled the watermark by default.
-  * Folder names.
-  * FPS display in the Vulkan statistics.
-  * Improved CShM dialog.
-  * Improved FXAA settings.
-  * Improved structure list.
-  * Multiple structures can be loaded and edited.
-  * Order of some items in the main menu.
-  * Removed frame rounding in most UI items.
-  * Removed the old logging console window.
-=== Fixed ===
-  * Do not recalculate CShM every frame.
-  * Error message when render graph creation failed.
-  * Middle mouse button actions did not forward to ImGui.
-  * Mouse selections in orthographic view (certain angles).
-\\
-===== v0.5.5 – 2023-09-06 =====
-=== Added ===
-  * Display of git revision.
-  * Enable ''VK_EXT_line_rasterization'' if available.
-=== Changed ===
-  * Improved lighting shader.
-=== Fixed ===
-  * Display of fractional coordinates.
-  * Vulkan start-up (obtaining ''vkGetInstanceProcAddr'').
-\\
-===== v0.5.4 – 2023-09-05 =====
-=== Added ===
-  * Display of git revision.
-  * Keyword ''EnableThreadedCommandBufferRecording'' in ''config/Vulkan.toml''.
-  * Keyword ''EnableVideoMemoryCheck'' in ''config/Vulkan.toml''.
-  * Keyword ''ProbeVulkanLibrary'' in ''config/Vulkan.toml''.
-  * Loading of COSMOS ''.coo'' files.
-  * Low video memory check.
-  * Unit cell drawing (only ''.coo'' files for now).
-=== Changed ===
-  * CShM and SymOps are build as shared libraries.
-  * Decreased start-up time.
-  * Disabled native Wayland support.
-  * Improved mouse handling in scenes.
-  * Improved object deletions.
-  * Improved Vulkan error reporting.
-  * Improved Vulkan start-up.
-  * Renamed ''AdaptiveResize'' to ''EnableAdaptiveResize'' in ''config/Vulkan.toml''.
-=== Fixed ===
-  * Deadlock due to non-detached worker threads in certain situations.
-  * Orientation of timed rotations.
-\\
-===== v0.5.3 – 2023-08-31 =====
-=== Added ===
-  * Bonds can be added manually.
-  * Fast approximate anti-aliasing (FXAA).
-  * More specific Vulkan error messages during start-up.
-  * Vulkan pipeline cache.
-  * Wireframe mode.
-=== Changed ===
-  * Disabled ''SHAPEXT_DIR'' environment variable.
-  * Refactoring of the internal Vulkan engine.
-  * Removed unused Vulkan present queue.
-  * Properties of file ''shapeXT.exe'' get updated now.
-=== Fixed ===
-  * Crash during (failed) Vulkan start-up with out-dated drivers.
-  * Improved Vulkan start-up and related error messages.
-  * Missing app icon (Wayland).
-  * No rendering when the app is minimized.
-\\
-===== v0.5.2 – 2023-08-26 =====
-=== Added ===
-  * Adaptive resize of framebuffers (improves performance).
-  * Additive selection when ''SHIFT'' is pressed.
-  * CShM calculation.
-  * Labels for atoms and bonds.
-  * Loading of Turbomole ''coord'' files.
-  * Reset rotations.
-  * Restart app dialog.
-  * UI scaling.
-=== Changed ===
-  * Reduced default level-of-detail (not implemented yet).
-=== Fixed ===
-  * Crash when tabbing out of an error message (Windows).
-  * Framebuffer size mismatch.
-  * High-DPI awareness.
-  * Hotkeys not working properly.
-  * Multi monitor support.
-  * Non-modal dialog windows.
-  * Reading ''.xyz'' files with a ''CR + LF'' line ending.
-  * Vulkan engine shutdown.
-  * Window resizing related deadlocks on Windows.
-\\
-===== v0.5.1 – 2023-08-21 =====
-=== Added ===
-  * App restart.
-  * Basic determination of bonds.
-  * Display quality can be changed.
-  * Files can be loaded (''.xyz'' yet only).
-  * Files can be opened via the command line.
-  * Initial camera improvements.
-  * Lines can be selected.
-  * List of recently opened files.
-  * Middle mouse click on an object centers the view and rotation.
-  * Mouse drop support of files.
-  * Open button in the sidebar works.
-  * Structure rotation.
-=== Changed ===
-  * Hide crosshair by default.
-  * Increased item spacing in the main menu.
-  * Refactoring of instance buffer handling.
-  * Refactoring of the backend dispatcher.
-  * Improved sidebar.
-=== Fixed ===
-  * Bug causing black scenes after changing settings.
-  * Deadlock when minimizing/maximizing the window (Windows).
-  * Default background color.
-  * Flickering of the scene viewport when rapidly resized (Intel).
-  * Low quality of watermark font.
-  * Mouse cursor changes did not happen (Windows).
-  * Mouse selections in perspective view.
-\\
-===== v0.5.0 – 2023-08-01 =====
-=== Added ===
-  * First internal pre-alpha release.
-=== Changed ===
-=== Fixed ===