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qp2/src/iterations
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Anthony Scemama 20bed4f44a
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Fix reversed print of minimum PT2 in extrapolations
2023-05-10 12:22:56 +02:00
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iterations.irp.f Added JSON in FCI 2023-04-24 00:50:07 +02:00
NEED Initial commit 2019-01-25 11:39:31 +01:00
print_extrapolation.irp.f Fix reversed print of minimum PT2 in extrapolations 2023-05-10 12:22:56 +02:00
print_summary.irp.f removed some stuffs to clean the CIPSI module 2021-10-18 08:56:25 +02:00
README.rst Initial commit 2019-01-25 11:39:31 +01:00

README.rst 

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

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