diff --git a/src/csf/sigma_vector.irp.f b/src/csf/sigma_vector.irp.f index 4cc4cf35..2bcc7491 100644 --- a/src/csf/sigma_vector.irp.f +++ b/src/csf/sigma_vector.irp.f @@ -141,6 +141,9 @@ end subroutine get_phase_qp_to_cfg real*8,dimension(:,:),allocatable :: tempBuffer real*8,dimension(:),allocatable :: tempCoeff real*8 :: norm_det1, phasedet + + integer :: nt + norm_det1 = 0.d0 MS = elec_alpha_num - elec_beta_num print *,"Maxbfdim=",NBFMax @@ -173,6 +176,9 @@ end subroutine get_phase_qp_to_cfg istate = 1 psi_csf_to_config_data(1) = 1 phasedet = 1.0d0 + call omp_set_nested(.False.) + !$OMP PARALLEL + !$OMP MASTER do i = 1,N_configuration startdet = psi_configuration_to_psi_det(1,i) enddet = psi_configuration_to_psi_det(2,i) @@ -224,6 +230,10 @@ end subroutine get_phase_qp_to_cfg psi_config_data(i,2) = countcsf enddo print *,"Norm det=",norm_det1, size(psi_coef_config,1), " Dim csf=", countcsf + !$OMP END MASTER + !$OMP END PARALLEL + + call omp_set_nested(.True.) END_PROVIDER