9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-07 14:03:37 +01:00

fixed (unused?) complex lowdin coef

This commit is contained in:
Kevin Gasperich 2020-07-29 14:10:05 -05:00
parent bd076b62a4
commit a982101a7f

View File

@ -28,7 +28,7 @@ BEGIN_PROVIDER [complex*16, ao_ortho_lowdin_n_e_ints_cplx, (mo_num,mo_num)]
integer :: i1,j1,i,j
complex*16 :: c_i1,c_j1
ao_ortho_lowdin_nucl_elec_integrals = (0.d0,0.d0)
ao_ortho_lowdin_n_e_ints_cplx = (0.d0,0.d0)
!$OMP PARALLEL DO DEFAULT(none) &
!$OMP PRIVATE(i,j,i1,j1,c_j1,c_i1) &
!$OMP SHARED(mo_num,ao_num,ao_ortho_lowdin_coef_complex, &