mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-30 15:53:42 +02:00
14 lines
272 B
Fortran
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
|
|
|