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qp2/src/perturbation/var_pt2_ratio_provider.irp.f
2019-01-25 11:39:31 +01:00

11 lines
266 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