From 08cf7b15ee76c6a5e680d1608aa4b957905adb90 Mon Sep 17 00:00:00 2001 From: davidlmobley Date: Sat, 8 Feb 2025 21:49:54 -0800 Subject: [PATCH] Correct prior error introduced in mdlib --- uci-pharmsci/assignments/MD/mdlib.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/uci-pharmsci/assignments/MD/mdlib.f90 b/uci-pharmsci/assignments/MD/mdlib.f90 index 14927ce..1864abe 100644 --- a/uci-pharmsci/assignments/MD/mdlib.f90 +++ b/uci-pharmsci/assignments/MD/mdlib.f90 @@ -64,7 +64,7 @@ subroutine CalcEnergyForces(Pos, M, L, rc, PEnergy, Forces, Dim, NAtom) real(8), intent(in), dimension(0:NAtom-1, 0:Dim-1) :: Pos real(8), intent(in) :: L, rc real(8), intent(out) :: PEnergy - real(8), intent(out), dimension(0:NAtom-1, 0:Dim-1) :: Forces + real(8), intent(inout), dimension(0:NAtom-1, 0:Dim-1) :: Forces !f2py intent(in, out, inplace) :: Forces real(8), parameter :: k = 3000., r0 = 1. integer :: i, j