Differences between psi4 and pyscf

1

I have just started trying out psi4 for some basic calculations. I was looking for python based packages that could be used within workflows that I would develop for my quantum dynamics calculations. I found psi4 and pyscf in the process. They superficially seem to have some similarities like being python modules and having efficient underhood implementations in C/C++ or Fortran.

Has anyone in this community tried both these packages? For evaluating one-electron and two-electron integrals are the any benchmarks to compare the two (pyscf seems to be using libcint )?

2

This would be libcint versus libint2.
pyscf can exploit general contractions and is usually significantly faster for those basis sets when using conventional integrals.

Pyscf does a lot more in python for the calculation side than psi4 to my knowledge.