Hello,
I just read your preprint on ArXiv about 5- and 6-membered rings (I was one one Yann Damour's PhD advisors, and I was involved in the CIPSI work). In the introduction, you mention that NOFT is underutilized.
Maybe importing/exporting your wavefunction/integrals in TREXIO format could help integrate your code in larger workflows and increase the number of users. If you are willing to do this, I will be happy to help! More info about TREXIO here:
all the best,
Anthony
Hello,
I just read your preprint on ArXiv about 5- and 6-membered rings (I was one one Yann Damour's PhD advisors, and I was involved in the CIPSI work). In the introduction, you mention that NOFT is underutilized.
Maybe importing/exporting your wavefunction/integrals in TREXIO format could help integrate your code in larger workflows and increase the number of users. If you are willing to do this, I will be happy to help! More info about TREXIO here:
all the best,
Anthony