scemama/qp_plugins_scemama
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qp_plugins_scemama/stable/amplitudes
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Anthony Scemama eed703afa9 Added entropy
2020-12-23 00:29:55 +01:00
..
extract_amplitudes.irp.f General CCSD 2019-09-11 17:09:30 +02:00
NEED Single-ref amplitudes OK 2019-09-10 17:09:01 +02:00
README.rst Single-ref amplitudes OK 2019-09-10 17:09:01 +02:00

README.rst 

==========
amplitudes
==========

Computes the amplitudes from a wave function.
use the QP_STATE environment variable to select an excited state