Surprisingly I found there's almost no documentation for the usage of lib.num_threads() or environment variables in the quick start or user guide (I've searched "thread" and "openmp"). Although this is common knowledge for experienced pyscf users, I believe there should be a few words for multi-thread instructions for starters.
Surprisingly I found there's almost no documentation for the usage of
lib.num_threads()or environment variables in the quick start or user guide (I've searched "thread" and "openmp"). Although this is common knowledge for experienced pyscf users, I believe there should be a few words for multi-thread instructions for starters.