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This commit is contained in:
Emmanuel Giner 2016-11-02 16:11:13 +01:00
parent 124d918021
commit 05e641de97
2 changed files with 2 additions and 1 deletions
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2
plugins/Full_CI/NEEDED_CHILDREN_MODULES
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@ -1 +1 @@
Perturbation Selectors_full Generators_full MRPT_Utils
Perturbation Selectors_full Generators_full

1
plugins/Perturbation/pt2_equations.irp.f
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@ -64,6 +64,7 @@ subroutine pt2_decontracted ($arguments)
ASSERT (Nint > 0)
!call i_H_psi(det_pert,psi_selectors,psi_selectors_coef,Nint,N_det_selectors,psi_selectors_size,N_st,i_H_psi_array)
call i_H_psi_pert_new_minilist(det_pert,minilist,idx_minilist,N_minilist,psi_selectors_coef,Nint,N_minilist,psi_selectors_size,N_st,i_H_psi_array,coef_pert)
H_pert_diag = 0.d0
c_pert(1) = coef_pert