10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-27 06:43:48 +01:00
quantum_package/plugins/Perturbation/var_pt2_ratio_provider.irp.f

11 lines
269 B
Fortran
Raw Normal View History

2017-04-21 23:18:09 +02:00
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