scemama/qp_plugins_scemama
1
0
Fork 0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-12-23 04:43:38 +01:00
Code Issues Releases Wiki Activity
8094f81c72
qp_plugins_scemama/stable/amplitudes
History
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