qp2/src/mol_properties/ci_energy_no_diag.irp.f

14 lines
272 B
Fortran

BEGIN_PROVIDER [double precision, ci_energy_no_diag, (N_states) ]
implicit none
BEGIN_DOC
! CI energy from density matrices and integrals
! Avoid the rediagonalization for ci_energy
END_DOC
ci_energy_no_diag = psi_energy + nuclear_repulsion
END_PROVIDER