Author Topic: CCSD single and doubles amplitudes  (Read 4176 times)

prasanta13

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CCSD single and doubles amplitudes
« on: September 08, 2023, 01:00:54 PM »
How can I obtain the CCSD singles and doubles amplitudes? I need them to create a 2particle density matrix.

christof.haettig

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Re: CCSD single and doubles amplitudes
« Reply #1 on: March 24, 2024, 05:02:11 PM »
The file with the singles amplitudes can be read and converged to ASCII with the ricctools program. But there is no such option yet for the doubles amplitudes.