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TopIso3D v2026.1

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@arymaia arymaia released this 07 Sep 14:18
v2026.1
98d48d6

TopIso3D v2026.1

TopIso3D v2026.1 is a maintenance and cross-platform refinement release focused on parser robustness, workflow consistency, PL2D reliability, interface clarity, and improved behavior across Windows, Linux, and macOS.

Captura de tela de 2026-09-07 15-18-13

TopIso3D v2026.1 main interface on Linux, showing the workspace-oriented workflow and integrated TOPOND analysis modules.

Download — Which file should I choose?

The ready-to-use TopIso3D applications are provided in the Assets section at the bottom of this release page.

You do not need to download the source code to use TopIso3D. Choose the file corresponding to your operating system below.

Windows

Recommended --- standard installer:

TopIso3D_v2026_1_Setup.exe

Download this file and run it to install TopIso3D using the Windows installation wizard.

Portable/standalone alternative:

TopIso3D_v2026_1.exe

This executable can be run directly without installation.

SHA-256 checksum files:

  • TopIso3D_v2026_1_Setup.sha256
  • TopIso3D_v2026_1.sha256

Linux --- x86_64

Download:

TopIso3D_v2026_1_Linux_x86_64.AppImage

If necessary, make the downloaded AppImage executable:

chmod +x TopIso3D_v2026_1_Linux_x86_64.AppImage

Then run:

./TopIso3D_v2026_1_Linux_x86_64.AppImage

SHA-256 checksum:

TopIso3D_v2026_1_Linux_x86_64.sha256

macOS --- Apple Silicon (arm64)

Download:

TopIso3D_v2026_1_macOS_arm64.zip

Extract the ZIP archive and open TopIso3D_v2026_1.app.

Note: the current macOS package is built for Apple Silicon (arm64).

SHA-256 checksum:

TopIso3D_v2026_1_macOS_arm64.sha256

What's new in v2026.1?

More robust BCP parsing

BCP parsing was substantially revised to use structural critical-point boundaries instead of fixed search windows. This prevents information associated with one critical point from spilling into the next when TOPOND cannot determine a path attractor.

TOPOND path-attractor failures are now explicitly flagged. Atomic assignment through the local-cluster fallback is preserved when possible, and the interatomic distance (RAB) can be geometrically recovered when the required atomic information is available.

Improved cross-platform TOPOND output handling

TRHO output processing now begins only after the corresponding output file has been fully closed. This prevents partial reads caused by platform-dependent file buffering, an issue identified during Windows regression testing.

The in-memory scientific state is also updated only after confirmation of the Active run, preventing inconsistencies between the run indicated by the interface and the data actually being analyzed.

Clearer Active-run workflow

TRHO and TLAP now explicitly identify the current Active run.

The Reports interface was simplified so that it displays the active TRHO/TLAP analyses without allowing the active run to be reassigned from Reports. Run selection is handled in the corresponding TRHO or TLAP module, making the workflow clearer and more predictable.

PL2D improvements

The PL2D workflow and interface were extensively reviewed and simplified.

Among the improvements:

  • redundant controls were removed or clarified;
  • visualization limits can be handled automatically when a user-defined upper limit is not supplied;
  • campaign metadata now records the expected number and sequence of slices;
  • missing PL2D slices can be detected and reported while allowing visualization and export of the remaining data;
  • Gaussian Cube export was refactored to reconstruct the physical grid geometry correctly;
  • TRUE atoms located inside the exported volume are now included in the Cube atomic block.

The resulting Cube files were successfully opened in VESTA and Avogadro 2, and volumetric isosurfaces were successfully verified in VESTA.

ATBP interface refinements

The obsolete Include TOPO wrapper option was removed.

When an ATBP Mode is selected, the corresponding calculation parameters are now displayed dynamically. Parameters associated with the predefined UNI modes are shown directly, while STD identifies the use of TOPOND defaults.

CP Viewer refinements

Several interface details were revised, including clearer Viewer Summary terminology and improved descriptive information.

During cross-platform regression testing, an apparent difference in CP Viewer orientation between operating systems was investigated. Controlled comparisons showed that this behavior originates from differences in the symmetry-equivalent critical-point representatives produced by TOPOND on different platforms rather than from an axis inversion performed by TopIso3D.

The corresponding physical/topological scalar descriptors remain consistent.

Help, About, and online resources

The Help and About interfaces were reorganized and expanded.

Help now provides direct access to the User Manual and official TopIso3D online resources. About consolidates software identity, authorship, institutional affiliation, supported platforms, license information, and project links.

The official TopIso3D website is:

http://www.topiso3d.ufpb.br

macOS compatibility and persistent settings

Cross-platform handling of persistent output-name settings was improved to maintain compatibility with older saved configurations.

Canonical TRHO, TLAP, and ATBP output filenames are retained alongside legacy aliases, resolving project-opening problems identified during macOS regression testing.

Cross-platform verification

The final TopIso3D v2026.1 distribution packages were regression-tested
on:

  • Windows
  • Linux
  • macOS

SHA-256 checksum files are provided with all downloadable application
packages.

License

TopIso3D is distributed under the MIT License.

Assets 10
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