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quantum_package/plugins/Perturbation/var_pt2_ratio_provider.irp.f
2017-04-21 23:18:09 +02:00

11 lines
269 B
Fortran

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