mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-20 04:02:16 +02:00
openmp in qmcchem
This commit is contained in:
parent
c7ea1df52c
commit
2e27f8bd37
|
@ -93,7 +93,7 @@ subroutine compute_energy(psi_bilinear_matrix_values_save, E, m, norm)
|
|||
m = 0
|
||||
!$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,l,det_i,det_j,ci,cj,hij) REDUCTION(+:norm,m,num)
|
||||
allocate( det_i(N_int,2), det_j(N_int,2))
|
||||
!$OMP DO
|
||||
!$OMP DO schedule(guided)
|
||||
do k=1,n_det
|
||||
if (psi_bilinear_matrix_values_save(k) == 0.d0) then
|
||||
cycle
|
||||
|
|
Loading…
Reference in New Issue
Block a user