From fa6988038cdd05454835228e6800427f0c2dc57b Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 15 Jun 2010 19:25:42 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4258 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_box_relax.cpp | 1 + src/fix_nh.cpp | 3 ++- src/fix_press_berendsen.cpp | 2 ++ 3 files changed, 5 insertions(+), 1 deletion(-) diff --git a/src/fix_box_relax.cpp b/src/fix_box_relax.cpp index b5dc457f11..99e3e44f16 100644 --- a/src/fix_box_relax.cpp +++ b/src/fix_box_relax.cpp @@ -180,6 +180,7 @@ FixBoxRelax::FixBoxRelax(LAMMPS *lmp, int narg, char **arg) : if (p_flag[0] || p_flag[1] || p_flag[2]) box_change_size = 1; if (p_flag[3] || p_flag[4] || p_flag[5]) box_change_shape = 1; + if (allremap == 0) restart_pbc = 1; // error checks diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp index cca8dc94ba..59b811e900 100644 --- a/src/fix_nh.cpp +++ b/src/fix_nh.cpp @@ -318,7 +318,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) (p_flag[5] && p_period[5] <= 0.0)) error->all("Fix nvt/npt/nph damping parameters must be > 0.0"); - // set pstat_flag and box change variables + // set pstat_flag and box change and restart_pbc variables pstat_flag = 0; for (int i = 0; i < 6; i++) @@ -329,6 +329,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) if (p_flag[0] || p_flag[1] || p_flag[2]) box_change_size = 1; if (p_flag[3] || p_flag[4] || p_flag[5]) box_change_shape = 1; no_change_box = 1; + if (allremap == 0) restart_pbc = 1; } // pstyle = TRICLINIC if any off-diagonal term is controlled -> 6 dof diff --git a/src/fix_press_berendsen.cpp b/src/fix_press_berendsen.cpp index adda65d276..a4c05d96c8 100644 --- a/src/fix_press_berendsen.cpp +++ b/src/fix_press_berendsen.cpp @@ -143,6 +143,8 @@ FixPressBerendsen::FixPressBerendsen(LAMMPS *lmp, int narg, char **arg) : } else error->all("Illegal fix press/berendsen command"); } + if (allremap == 0) restart_pbc = 1; + // error checks if (dimension == 2 && p_flag[2])