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QuantumPackage/src/hartree_fock/print_e_scf.irp.f

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Fortran
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program print_e_scf
call run
end
subroutine run
use bitmasks
implicit none
2020-07-29 21:04:16 +02:00
!if (is_complex) then
! call print_debug_scf_complex
!endif
print*,'hf 1e,2e,total energy'
print*,hf_one_electron_energy
print*,hf_two_electron_energy
print*,hf_energy
end