From 3653a4e9a8004a8ca0e1b44769ea543b248737be Mon Sep 17 00:00:00 2001 From: albert <92109627+Albkat@users.noreply.github.com> Date: Mon, 22 Jan 2024 16:18:31 +0100 Subject: [PATCH] mindless benchmark fix uhf Signed-off-by: albert <92109627+Albkat@users.noreply.github.com> --- test/unit/molstock.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/unit/molstock.f90 b/test/unit/molstock.f90 index 3fe4262be..ec11cffcb 100644 --- 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