Around 4 years ago, a question was asked about which programs can interact with an FCIDUMP file: How do the various programs read or write integrals in FCIDUMP format?
In the design of Knowles and Handy, there is an option to use this for UHF, in which IUHF=1 is in the header, then separate 2-index and 4-index integrals are written for alpha and beta orbitals, with a line of zeroes separating them for each.
Compatibility with this format is much more rare, it seems. What codes can read this format? The ones that I know are:
- NECI: for FCIQMC
- block2: for DMRG and its extensions
- ElemCo: a Julia code for coupled cluster and distinguishable cluster
Does anyone know of any others?
