Questions tagged [fcidump]
The fcidump tag has no usage guidance.
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For software that does not support FCIDUMP format, what format is used and how can we get the software to interact with FCIDUMP integrals?
Complementary to this question: How do the various programs read or write integrals in FCIDUMP format? which attempts to list all electronic structure packages that support the ...
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How do the various programs read or write integrals in FCIDUMP format?
The FCIDUMP format was created by Peter Knowles and Nick Handy circa 1989 and now allows many electronic structure software packages to interact with each other.
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How are one-/two- particle reduced density matrices printed in mainstream programs?
The FCIDUMP format is widely used for the communication of one- and two- body integrals. I wonder what formats are used for 1-/2-RDMs, which are important in many basis rotation or compression tasks.
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