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Anthony Scemama 2017-04-21 23:18:09 +02:00
parent 23d7794109
commit 6fc08e610d
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plugins/Perturbation/var_pt2_ratio_provider.irp.f Normal file
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BEGIN_PROVIDER [ double precision, var_pt2_ratio ]
implicit none
BEGIN_DOC
! The selection process stops when the energy ratio variational/(variational+PT2)
! is equal to var_pt2_ratio
END_DOC
var_pt2_ratio = correlation_energy_ratio_max
END_PROVIDER