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qp2/src/iterations
History
eginer 6e35f8f8f8 fixed n_states > 1 for TC 2024-03-12 15:30:52 +01:00
..
NEED Initial commit 2019-01-25 11:39:31 +01:00
README.rst Initial commit 2019-01-25 11:39:31 +01:00
iterations.irp.f Added JSON in FCI 2023-04-24 00:50:07 +02:00
print_extrapolation.irp.f Fixed reversed order in print of extrapolation 2023-10-11 09:42:10 +02:00
print_summary.irp.f removed some stuffs to clean the CIPSI module 2021-10-18 08:56:25 +02:00
summary_tc.irp.f fixed n_states > 1 for TC 2024-03-12 15:30:52 +01:00

README.rst 

==========
iterations
==========

Module which saves the computed energies for an extrapolation to
the |FCI| limit.