--- title: "Change log: 8.1.1" description: Change log for the Digichem version 8.1.1 upgrade. --- [![Digichem-1](https://digi-chem.co.uk/hubfs/Digichem-1.svg "Digichem-1")](https://digi-chem.co.uk) - Features Features - [Your own cluster](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) - [What's new](https://digi-chem.co.uk/updates/tag/releases) - 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 - [Changelog](https://digi-chem.co.uk/updates/tag/changelog) - [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) - Features Features - [Your own cluster](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) - [What's new](https://digi-chem.co.uk/updates/tag/releases) - 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 - [Changelog](https://digi-chem.co.uk/updates/tag/changelog) - [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) - Features Features - [Your own cluster](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) - [What's new](https://digi-chem.co.uk/updates/tag/releases) - 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 - [Changelog](https://digi-chem.co.uk/updates/tag/changelog) - [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: 8.1.1 19 Oct 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/updates/author/dr-oliver-s-lee) #### Digichem (backend) v8.1.1 ###### New features and improvements: - The SOS and SCS variants of the double hybrid wPBEPP86 functionals have been added to the method library - The time-consuming density cube file can now be disabled in xTB calculations - Upgraded bundled xTB program to 6.7.1 - Added new server endpoints for retrieving methods by class name - Methods returned from the server now include their index where applicable - Added support for the outcore (-rw) version of std2 ###### Bugfixes: - Fixed out of memory errors in xTB and similar programs that use large amount of stack memory (ulimit) - Fixed xTB calculations crashing if the topo file is absent for some reason - Fixed a bug when exclusively using basis set exchange basis sets and no ECPs are available   #### Digichem-library v8.1.1 ###### New features and improvements: - Result parsers can now accept an atoms\_default argument for when coord parsing fails ###### Bugfixes: - Fixed parsing xTB calculations if the topo file is absent for some reason - Fixed fallback parser not calling Openprattle\_converter correctly - Added a patch for PySCF cube writer failing with very large structures ### Share: [Share on Facebook](http://www.facebook.com/share.php?u=https://digi-chem.co.uk/updates/change-log-8.1.1&utm_medium=social&utm_source=facebook) [Share on LinkedIn](http://www.linkedin.com/shareArticle?mini=true&url=https://digi-chem.co.uk/updates/change-log-8.1.1&utm_medium=social&utm_source=linkedin) [Share on X](https://twitter.com/intent/tweet?original_referer=https://digi-chem.co.uk/updates/change-log-8.1.1&utm_medium=social&utm_source=twitter&url=https://digi-chem.co.uk/updates/change-log-8.1.1&utm_medium=social&utm_source=twitter&source=tweetbutton&text=Change%20log:%208.1.1) [Version-8](https://digi-chem.co.uk/updates/tag/version-8), [Changelog](https://digi-chem.co.uk/updates/tag/changelog) ## Dr. Oliver S. Lee Oliver is a computational chemist and software developer, and co-founder of Chemicus. He leads the development of Digichem, bringing together his experience in computational chemistry, scientific software, and molecular modelling to make complex computational workflows simpler and more accessible. He is passionate about building tools that remove the friction from scientific computing, allowing researchers to spend less time managing calculations and more time doing science. [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 Search [Digichem Release: 8.0](https://digi-chem.co.uk/updates/releases-8.0) [Digichem Release: 8.1.1](https://digi-chem.co.uk/updates/digichem-release-8.1.1) 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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