--- title: "Change log: 8.0" description: Change log for the Digichem version 8.0 upgrade. --- [![Digichem-1](https://digi-chem.co.uk/hubfs/Digichem-1.svg "Digichem-1")](https://digi-chem.co.uk) - Product Product - [Digicloud](https://digi-chem.co.uk/your-cluster) - [Fully interactive interface](https://digi-chem.co.uk/for-everyone) - [Calculation chaining](https://digi-chem.co.uk/for-everyone#Product-queue) - [Automated result processing](https://digi-chem.co.uk/your-results) - [Publication ready renders](https://digi-chem.co.uk/publication-ready) - Community Community - [Github](http://github.com/Chemicus-Ltd/) - [Twitter (X)](https://x.com/DigichemProject) - [Bluesky](https://bsky.app/profile/digichem.bsky.social) - [LinkedIn](https://www.linkedin.com/company/digichem/) - Resources Resources - [Documentation](https://doc.digi-chem.co.uk/) - [The Digichem Company](https://digi-chem.co.uk/who-we-are) - [The Digichem paper](https://digi-chem.co.uk/resources) - [Cite us](https://digi-chem.co.uk/resources) - [Digilib](https://digi-chem.co.uk/resources) - [Pricing](https://digi-chem.co.uk/get-started-month#pricing-table) - [Contact us](https://digi-chem.co.uk/contact-us) - [Try for free!](https://digi-chem.co.uk/get-started-month) [![Digichem-1](https://digi-chem.co.uk/hubfs/Digichem-1.svg "Digichem-1")](https://digi-chem.co.uk) - Product Product - [Digicloud](https://digi-chem.co.uk/your-cluster) - [Fully interactive interface](https://digi-chem.co.uk/for-everyone) - [Calculation chaining](https://digi-chem.co.uk/for-everyone#Product-queue) - [Automated result processing](https://digi-chem.co.uk/your-results) - [Publication ready renders](https://digi-chem.co.uk/publication-ready) - Community Community - [Github](http://github.com/Chemicus-Ltd/) - [Twitter (X)](https://x.com/DigichemProject) - [Bluesky](https://bsky.app/profile/digichem.bsky.social) - [LinkedIn](https://www.linkedin.com/company/digichem/) - Resources Resources - [Documentation](https://doc.digi-chem.co.uk/) - [The Digichem Company](https://digi-chem.co.uk/who-we-are) - [The Digichem paper](https://digi-chem.co.uk/resources) - [Cite us](https://digi-chem.co.uk/resources) - [Digilib](https://digi-chem.co.uk/resources) - [Pricing](https://digi-chem.co.uk/get-started-month#pricing-table) - [Contact us](https://digi-chem.co.uk/contact-us) - [Try for free!](https://digi-chem.co.uk/get-started-month) [![Digichem (inverse)-1](https://digi-chem.co.uk/hubfs/Digichem%20(inverse)-1.svg "Digichem (inverse)-1")](https://digi-chem.co.uk) - Product Product - [Digicloud](https://digi-chem.co.uk/your-cluster) - [Fully interactive interface](https://digi-chem.co.uk/for-everyone) - [Calculation chaining](https://digi-chem.co.uk/for-everyone#Product-queue) - [Automated result processing](https://digi-chem.co.uk/your-results) - [Publication ready renders](https://digi-chem.co.uk/publication-ready) - Community Community - [Github](http://github.com/Chemicus-Ltd/) - [Twitter (X)](https://x.com/DigichemProject) - [Bluesky](https://bsky.app/profile/digichem.bsky.social) - [LinkedIn](https://www.linkedin.com/company/digichem/) - Resources Resources - [Documentation](https://doc.digi-chem.co.uk/) - [The Digichem Company](https://digi-chem.co.uk/who-we-are) - [The Digichem paper](https://digi-chem.co.uk/resources) - [Cite us](https://digi-chem.co.uk/resources) - [Digilib](https://digi-chem.co.uk/resources) - [Pricing](https://digi-chem.co.uk/get-started-month#pricing-table) - [Contact us](https://digi-chem.co.uk/contact-us) - [Try for free!](https://digi-chem.co.uk/get-started-month) # Change log: 8.0 29 Sep 2026 ![Picture of Dr. Oliver S. Lee](https://digi-chem.co.uk/hs-fs/hubfs/Oliver-1.png?width=40&name=Oliver-1.png) [Dr. Oliver S. Lee](https://digi-chem.co.uk/blog/author/dr-oliver-s-lee) #### Digichem-desktop v2.0 (Note that Digichem-desktop uses separate version numbers to the main Digichem application) ###### New features and improvements: - Added automatic app updates - Added new Dashboard page to better show server usage at a glance - Added new molecular sketcher (Ketcher: [https://github.com/epam/ketcher](https://github.com/epam/ketcher)) to submit page to allow drawing structures directly in the app - Added new splash-screen and user login management for access to protected servers (notably, Digicloud) - Overhauled server connection management to greatly improve reliability (particularly with servers behind SSH tunnels) and efficiency - Improved efficiency of local DB searching - The front-end is now able to query servers for more advanced status information, including available and consumed billing info, server queue status, and filespace consumption - Added support for V1 server endpoints - Added ability to disable auto-updates (and to freeze server version) ###### Bugfixes: - Fixed slow job update on first launch - Fixed minor race conditions in polling logic that could result in multiple requests hitting the server simultaneously - Fixed result database failing to sync on first start up - Fixed some bugs in the result viewer - Fixed wrong timezone being used on job screen - Fixed downloads in the download page sometimes not being sorted by time - Fixed missing molecule name on newly loaded structures - Added better detection for when an SSH connection drops - Fixed renderer crash if no servers are available - Added fix for proprietary VPNs that inject custom CA certificates into the cert chain - Fixed splash-screen not accepting enter/tab keys and similar accessibility features for navigation - Fixed backend deployment errors when bash is not the default shell - Various updates to icons   #### Digichem (backend) v8.0 ###### New features and improvements: - Significantly improved handling of external programs during post-processing - Computational engines (Gaussian, Orca, Turbomole etc) are now selected automatically when generating reports based on the type of data being analysed - Server API is now versioned. Previous endpoints have been deprecated and move to ‘V0’ - A new V1 server API has been introduced with a JSON API like schema for greatly improved backend communication - Multiple batch jobs (for multiple molecules etc) can now be submitted in a single API call using the ‘/v1/jobs/matrix’ endpoint. - Improved endpoints for browsing the method library - Added better detection of media-types for file endpoints, and added content-length header where appropriate - Added support for compressing HTTP data to improve file transfer speed for large files - Added user authentication methods for API access, so client certs are no-longer mandatory - Added support for SLURM accounting/billing - Added support for sending notification emails when a calculation completes (depending on email server availability) - The slow spin-dipole interaction can now be disabled in PySCF NMR calculations (with minimal impact on calculation accuracy) - Added support for the xTB calculation backend, giving access to extremely rapid geometry optimisations and excited state calculations (the latter with the sTD/sTDA method) - Added support for the mixed DFT/sTD method using a PySCF reference wavefunction and the xTB sTD method for high-quality, rapid excited states calculations - Added support for effective core potentials in PySCF calculations - Added pre-built binaries of CREST, CENSO, xtb, xtb4stda, and std2 into distributions that are built against the same target OS as the main Digichem build - Moved several calculations options out of the Calculation class and into the Destination class for better re-use of methods across different institutions ###### Bugfixes: - Fixed problems with the root Gaussian directory being mishandled in certain circumstances - Fixed server processes sometimes hanging forever when attempting to shutdown - Various fixes for the schema of V0 and V1 API endpoints - Fixed slow db result performance be removing unnecessary and expensive sort operation - Fixed file locking sometimes not being NFS safe - Added fix for servers on NFS using the same lock file across different nodes if multiple login nodes are available, that could leak to strange connection problems - Fixed SLURM commands not always correctly accessing cached data - Fixed various errors resulting in empty data being returned in job endpoints when there is a problem with the underlying data - Fixed PySCF optimisation not using the final SCF wavefunction, resulting in strange geometry in reports. PySCF geometry calcs now save each geometry step to an xyz file - Fixed occasional missing images in PySCF reports   #### Digichem-library v8.0 ###### New features and improvements: - Various improvements to molecular alignment procedures, including the introduction of two new grid-based solvers (NEST and GRID) - Alignment procedures now record their own duration - Added better handling of cubegen and formchk - Added support for parsing xTB calculations - Added support for generating cubes from xTB - Added solvent translations for xTB - Added support for parsing excited states with std2 - Added support for selecting the render backend with blender (Cycles, Eevee or Workbench) ###### Bugfixes: - Fixed some solvents not being available because they erroneously included subscript - Fixed basis\_sets not supporting atomic numbers - Fixed failing to parse .sir files if pdm is None - Added better error reporting for mismatched atom info - Added reordering for pyscf excited states - Fixed pyscf cube not respecting npts - Fixed various molecular rotations being inverted (particularly for VMD) ### Share: [Share on Facebook](http://www.facebook.com/share.php?u=https://digi-chem.co.uk/blog/change-log-8.0&utm_medium=social&utm_source=facebook) [Share on LinkedIn](http://www.linkedin.com/shareArticle?mini=true&url=https://digi-chem.co.uk/blog/change-log-8.0&utm_medium=social&utm_source=linkedin) [Share on X](https://twitter.com/intent/tweet?original_referer=https://digi-chem.co.uk/blog/change-log-8.0&utm_medium=social&utm_source=twitter&url=https://digi-chem.co.uk/blog/change-log-8.0&utm_medium=social&utm_source=twitter&source=tweetbutton&text=Change%20log:%208.0) [Version-8](https://digi-chem.co.uk/blog/tag/version-8), [Changelog](https://digi-chem.co.uk/blog/tag/changelog) ## Dr. Oliver S. Lee Oli is the co-founder of Digichem and servers as its Project Lead. He is also Digichem’s chief programmer, and is responsible for maintaining our code-base. A researcher in the field of optolelectronic materials, Oli finds himself drawn to projects that occupy the niche between synthetic and computational chemistry. He completed his PhD at the University of St Andrews under the supervision of Prof. Eli Zysman-Colman, where the collaboration that lead to Digichem was first born. A self-taught programmer, Oli is fluent in Python and various web-languages, although he’d be the first to admit that he rarely finds call to program in PHP these days. [Follow me on my website](https://orcid.org/0009-0005-8365-816X) [Follow me on LinkedIn](https://www.linkedin.com/in/oliver-lee-a6b918278/) [Follow me on X](https://x.com/oli_s_lee) ## Related posts [Digichem Release: 8.0](https://digi-chem.co.uk/blog/releases-8.0) Search ![Digichem Logo](https://digi-chem.co.uk/hubfs/Digichem%20Logo.svg "Digichem Logo") ---   Your own DFT cluster, without the cluster ##### Product - [Digicloud](https://digi-chem.co.uk/your-cluster) - [Fully interactive interface](https://digi-chem.co.uk/for-everyone) - [Calculation chaining](https://digi-chem.co.uk/for-everyone#Product-queue) - [Automated result processing](https://digi-chem.co.uk/your-results) - [Publication ready renders](https://digi-chem.co.uk/publication-ready) ##### Community - [Github](http://github.com/Chemicus-Ltd/) - [Twitter (X)](https://x.com/DigichemProject) - [Bluesky](https://bsky.app/profile/digichem.bsky.social) - [LinkedIn](https://www.linkedin.com/company/digichem/) ##### Resources - [Documentation](https://doc.digi-chem.co.uk/) - [The Digichem Company](https://digi-chem.co.uk/who-we-are) - [The Digichem Paper](https://digi-chem.co.uk/resources) - [Citations](https://digi-chem.co.uk/resources) - [Digilib](https://digi-chem.co.uk/resources) ##### For you - [Pricing](https://digi-chem.co.uk/get-started-month#pricing-table) - [Contact us](https://digi-chem.co.uk/contact-us) - [Get started](https://digi-chem.co.uk/get-started-month) [See our code on github](https://github.com/Chemicus-Ltd/) [Follow us on X](https://x.com/DigichemProject) [Follow us on LinkedIn](https://www.linkedin.com/company/digichem/) [Follow us on Bluesky](https://bsky.app/profile/digichem.bsky.social) ```json { "@context" : "https://schema.org", "@type" : "BlogPosting", "author" : { "@type" : "Person", "name" : "Dr. Oliver S. 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