Yes, at least the parts that my research group used regularly. I ported them to Rust, though, not modern Fortran. They're also pretty specific to computational chemistry, rather than general packages like PRIMA, but I'll link them here in case you're curious anyway. I was also still learning Rust and followed the original Fortran API and naming scheme where possible, so this code could use a refactor too! But at least there are no gotos.https://github.com/ntBre/anpass - ordinary least squares fitting
https://github.com/ntBre/intder - internal coordinate transformations
https://github.com/ntBre/spectro - vibrational perturbation theory
PRIMA looks very interesting, by the way. I may see if I can get some use out of it in my research!
zaikunzhang|1 year ago
I will be very glad if PRIMA turns out useful to you. This will compensate my time, effort, and energy spent.