mindless benchmark fix uhf (#953)

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
grimme-lab · Jan 23, 2024 · 20f56a7 · 20f56a7
1 parent 0fb151d
commit 20f56a7
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/test/unit/molstock.f90 b/test/unit/molstock.f90
@@ -110,7 +110,7 @@ subroutine mindless02(mol)
       &  1.26806242248758_wp, -2.60409341782411_wp,  0.55162805282247_wp, &
       &  4.11956976339902_wp,  1.59892866766766_wp, -1.39117477789609_wp],&
       & shape(xyz))
-   integer, parameter :: uhf = 2
+   integer, parameter :: uhf = 1
    call init(mol, sym, xyz, uhf=uhf)
 end subroutine mindless02