mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-29 04:12:00 +02:00
minor modifs
This commit is contained in:
parent
bef6175ee4
commit
ee85889a80
@ -25,6 +25,7 @@
|
|||||||
print*,'Providing act_2_rdm_ab_mo '
|
print*,'Providing act_2_rdm_ab_mo '
|
||||||
ispin = 3
|
ispin = 3
|
||||||
act_2_rdm_ab_mo = 0.d0
|
act_2_rdm_ab_mo = 0.d0
|
||||||
|
provide mo_two_e_integrals_in_map
|
||||||
call wall_time(wall_1)
|
call wall_time(wall_1)
|
||||||
if(read_two_body_rdm_ab)then
|
if(read_two_body_rdm_ab)then
|
||||||
print*,'Reading act_2_rdm_ab_mo from disk ...'
|
print*,'Reading act_2_rdm_ab_mo from disk ...'
|
||||||
|
@ -19,6 +19,7 @@ subroutine orb_range_2_rdm_openmp(big_array,dim1,norb,list_orb,ispin,u_0,N_st,sz
|
|||||||
integer :: k
|
integer :: k
|
||||||
double precision, allocatable :: u_t(:,:)
|
double precision, allocatable :: u_t(:,:)
|
||||||
!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: u_t
|
!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: u_t
|
||||||
|
PROVIDE mo_two_e_integrals_in_map
|
||||||
allocate(u_t(N_st,N_det))
|
allocate(u_t(N_st,N_det))
|
||||||
do k=1,N_st
|
do k=1,N_st
|
||||||
call dset_order(u_0(1,k),psi_bilinear_matrix_order,N_det)
|
call dset_order(u_0(1,k),psi_bilinear_matrix_order,N_det)
|
||||||
|
Loading…
Reference in New Issue
Block a user