LCPQ/quantum_package
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merge with scemama master

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This commit is contained in:
Yann Garniron 2017-01-18 16:02:29 +01:00
commit 786be9222e
2 changed files with 2 additions and 2 deletions
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2
plugins/Full_CI_ZMQ/fci_zmq.irp.f
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@ -104,7 +104,7 @@ program fci_zmq
E_CI_before(1:N_states) = CI_energy(1:N_states)
!call ZMQ_selection(0, pt2)! pour non-stochastic
double precision :: relative_error
relative_error=1.d-2
relative_error=1.d-3
call ZMQ_pt2(pt2,relative_error)
print *, 'Final step'
print *, 'N_det = ', N_det

2
plugins/Full_CI_ZMQ/pt2_stoch.irp.f
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@ -28,7 +28,7 @@ subroutine run
threshold_selectors = 1.d0
threshold_generators = 1d0
relative_error = 1.d-8
relative_error = 1.d-3
call ZMQ_pt2(pt2, relative_error)
print *, 'Final step'
print *, 'N_det = ', N_det