LCPQ/quantum_package
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Anthony Scemama 2017-11-22 16:23:56 +01:00
parent 38831926db
commit 6f68bc69e9
1 changed files with 3 additions and 3 deletions
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6
plugins/Full_CI_ZMQ/fci_zmq.irp.f
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@ -10,8 +10,9 @@ program fci_zmq
double precision :: hf_energy_ref double precision :: hf_energy_ref
logical :: has logical :: has
double precision :: relative_error, absolute_error double precision :: relative_error, absolute_error
integer :: N_states_p integer :: N_states_p
character*(512) :: fmt
relative_error=PT2_relative_error relative_error=PT2_relative_error
absolute_error=PT2_absolute_error absolute_error=PT2_absolute_error
@ -87,7 +88,6 @@ program fci_zmq
! call write_double(6,correlation_energy_ratio, 'Correlation ratio') ! call write_double(6,correlation_energy_ratio, 'Correlation ratio')
! print *, '' ! print *, ''
! !
! character*(512) :: fmt
! N_states_p = min(N_det,N_states) ! N_states_p = min(N_det,N_states)
! print *, '' ! print *, ''
! write(fmt,*) '(''# ============'',', N_states_p, '(1X,''=========================''))' ! write(fmt,*) '(''# ============'',', N_states_p, '(1X,''=========================''))'