I must confess some ignorance... I just became aware of the Scientific Vector Language (SVL) which has been around since 1994 and was created solely for computational chemistry.

It has a large database of modules/API/functions/scripts.

The group behind this language is the Chemical Computing Group. While they have competitors for their software which is the Molecular Operating Environment, which runs on SVL, I don't know if their competitors have gone so far as to develop their own programming language.

Are there other programming languages that have been developed specifically for computational chemistry that I am not aware of?



Implementing high-level quantum chemistry methods efficiently in parallel becomes extremely complicated due to the large number of tensors that need to be distributed.

In the ACES III program this problem has been solved by writing the methods in a domain specific programming language called super instruction assembly language or SIAL (pronounced "sail" for easy communication) that is then executed by a parallel virtual machine.

Example code for computing the MPBT(2) gradient based on UHF orbitals Programmers' guide


Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Not the answer you're looking for? Browse other questions tagged or ask your own question.