LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 03:53:29 +01:00
Code Releases Activity

minor fix

Browse Source
This commit is contained in:
Kevin Gasperich 2020-01-28 16:46:42 -06:00
parent 1dc9c3ed0b
commit aa23ecc6a6
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
src/mo_one_e_ints/mo_overlap.irp.f
View File

@ -53,7 +53,7 @@ BEGIN_PROVIDER [ complex*16, mo_overlap_complex,(mo_num,mo_num) ]
!$OMP mo_num,ao_num,lmax)
do j=1,mo_num
do i= 1,mo_num
mo_overlap(i,j) = (0.d0,0.d0)
mo_overlap_complex(i,j) = (0.d0,0.d0)
do n = 1, lmax,4
do l = 1, ao_num
mo_overlap_complex(i,j) = mo_overlap_complex(i,j) + dconjg(mo_coef_complex(l,i)) * &