From ba28734fd7ccf34b2a816910528c57d225cabcc4 Mon Sep 17 00:00:00 2001 From: Alex Selimov Date: Mon, 13 Jan 2020 16:54:52 -0500 Subject: [PATCH] Working changes to write lammps cac --- src/mode_create.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/mode_create.f90 b/src/mode_create.f90 index 6c465a3..b65d62e 100644 --- a/src/mode_create.f90 +++ b/src/mode_create.f90 @@ -306,9 +306,9 @@ module mode_create do inod = 1, 8 do i = 1,3 if(is_equal(cubic_cell(i, inod),0.0_dp)) then - adjustVar(i,inod) = -0.25_dp + adjustVar(i,inod) = -0.5_dp else - adjustVar(i, inod) = 0.25_dp + adjustVar(i, inod) = 0.5_dp end if end do end do