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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 20:34:58 +01:00

minor modifs

This commit is contained in:
Emmanuel Giner LCT 2020-04-21 15:08:10 +02:00
parent bef6175ee4
commit ee85889a80
2 changed files with 2 additions and 0 deletions

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@ -25,6 +25,7 @@
print*,'Providing act_2_rdm_ab_mo '
ispin = 3
act_2_rdm_ab_mo = 0.d0
provide mo_two_e_integrals_in_map
call wall_time(wall_1)
if(read_two_body_rdm_ab)then
print*,'Reading act_2_rdm_ab_mo from disk ...'

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@ -19,6 +19,7 @@ subroutine orb_range_2_rdm_openmp(big_array,dim1,norb,list_orb,ispin,u_0,N_st,sz
integer :: k
double precision, allocatable :: u_t(:,:)
!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: u_t
PROVIDE mo_two_e_integrals_in_map
allocate(u_t(N_st,N_det))
do k=1,N_st
call dset_order(u_0(1,k),psi_bilinear_matrix_order,N_det)