Running calculations using integrals from FCIDUMP

Dear developers,
Does MRCC support reading in integrals from a FCIDUMP file to run coupled cluster calculations?
Thank you!
Xing

Dear Xing,

I explained how to do MRCC calculations using an FCIDUMP file, here: mattermodeling.stackexchange.com/a/1648/5

There is also a PySCF-MRCC interface that was created in my lab by a PhD student named Jaafar Mehrez: mattermodeling.stackexchange.com/a/13759/5

It's in the HPQC-LABS fork of PySCF and hopefully will get merged into the main fork of PySCF the next time our fork is ready to be merged.

With best wishes!
Nike