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This commit is contained in:
Anouar Benali 2017-04-21 10:30:34 -05:00
parent b79ff2ee6b
commit d4cb0b24a8
1 changed files with 9 additions and 5 deletions
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14
plugins/Full_CI_ZMQ/fci_zmq.irp.f
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@ -64,13 +64,17 @@ program fci_zmq
ENDIF
print *, 'N_det = ', N_det
print *, 'N_states = ', N_states
print *, 'N_det = ', N_det
print *, 'N_states = ', N_states
IF (correlation_energy_ratio_max .NE. 1.d0) THEN
print*, 'correlation_ratio = ', correlation_energy_var
ENDDO
do k=1, N_states
print*,'State ',k
print *, 'PT2 = ', pt2(k)
print *, 'E = ', CI_energy(k)
print *, 'E(before)+PT2 = ', E_CI_before(k)+pt2(k)
print *, 'PT2 = ', pt2(k)
print *, 'E = ', CI_energy(k)
print *, 'E(before)+PT2 = ', E_CI_before(k)+pt2(k)
enddo
print *, '-----'
if(N_states.gt.1)then