Interesting. You might be the first computational chemist I know who actually uses Rust. I know a lot of computational chemists!
Python is the big one, all of the aforementioned chemists are either intermediate or advanced in that. The runner-up seems to be Julia, which I personally have no experience with. The big guys are Fortran and C++. I prefer C for tasks of this nature, but I also shill Scheme so don't listen to my opinions on programming languages.
Best of luck on your computational chemistry endeavours!
Python is the big one, all of the aforementioned chemists are either intermediate or advanced in that. The runner-up seems to be Julia, which I personally have no experience with. The big guys are Fortran and C++. I prefer C for tasks of this nature, but I also shill Scheme so don't listen to my opinions on programming languages.
Best of luck on your computational chemistry endeavours!