From 03766dbda76f854d94e86ba5ab7107bb5a869bf0 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 3 Oct 2016 16:28:59 -0400 Subject: [PATCH] apply bugfix for MEAM provided by Wolfgang Verestek on lammps-users this closes lammps/#188 --- lib/meam/meam_setup_done.F | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/lib/meam/meam_setup_done.F b/lib/meam/meam_setup_done.F index 0684fde70b..8c22f4ca89 100644 --- a/lib/meam/meam_setup_done.F +++ b/lib/meam/meam_setup_done.F @@ -183,6 +183,16 @@ c real*8, external :: zbl real*8, external :: compute_phi +c check for previously allocated arrays and free them + if(allocated(phir)) deallocate(phir) + if(allocated(phirar)) deallocate(phirar) + if(allocated(phirar1)) deallocate(phirar1) + if(allocated(phirar2)) deallocate(phirar2) + if(allocated(phirar3)) deallocate(phirar3) + if(allocated(phirar4)) deallocate(phirar4) + if(allocated(phirar5)) deallocate(phirar5) + if(allocated(phirar6)) deallocate(phirar6) + c allocate memory for array that defines the potential allocate(phir(nr,(neltypes*(neltypes+1))/2))