From 1108e91261d0db1d5f491c9ec8638fef7d6d9472 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 4 Apr 2008 23:18:14 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1719 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix.cpp | 1 + src/fix.h | 1 + src/fix_nph.cpp | 1 + src/fix_npt.cpp | 1 + src/fix_nve.cpp | 2 ++ src/fix_nve_limit.cpp | 1 + src/fix_nvt.cpp | 1 + src/fix_rigid.cpp | 1 + 8 files changed, 9 insertions(+) diff --git a/src/fix.cpp b/src/fix.cpp index b822fdf1fb..eb7698924c 100644 --- a/src/fix.cpp +++ b/src/fix.cpp @@ -52,6 +52,7 @@ Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp) rigid_flag = 0; virial_flag = 0; no_change_box = 0; + time_integrate = 0; scalar_flag = vector_flag = peratom_flag = 0; diff --git a/src/fix.h b/src/fix.h index 729bb40c04..dc662c3b7b 100644 --- a/src/fix.h +++ b/src/fix.h @@ -33,6 +33,7 @@ class Fix : protected Pointers { int rigid_flag; // 1 if Fix integrates rigid bodies, 0 if not int virial_flag; // 1 if Fix contributes to virial, 0 if not int no_change_box; // 1 if cannot swap ortho <-> triclinic + int time_integrate; // 1 if fix performs time integration, 0 if no int scalar_flag; // 0/1 if compute_scalar() function exists int vector_flag; // 0/1 if compute_vector() function exists diff --git a/src/fix_nph.cpp b/src/fix_nph.cpp index 53de24d004..d5f489b3ee 100644 --- a/src/fix_nph.cpp +++ b/src/fix_nph.cpp @@ -46,6 +46,7 @@ FixNPH::FixNPH(LAMMPS *lmp, int narg, char **arg) : restart_global = 1; box_change = 1; + time_integrate = 1; scalar_flag = 1; scalar_vector_freq = 1; extscalar = 1; diff --git a/src/fix_npt.cpp b/src/fix_npt.cpp index 2d455d2d06..c3c945ba44 100644 --- a/src/fix_npt.cpp +++ b/src/fix_npt.cpp @@ -47,6 +47,7 @@ FixNPT::FixNPT(LAMMPS *lmp, int narg, char **arg) : restart_global = 1; box_change = 1; + time_integrate = 1; scalar_flag = 1; scalar_vector_freq = 1; extscalar = 1; diff --git a/src/fix_nve.cpp b/src/fix_nve.cpp index ab05cba17f..52030ac7d3 100644 --- a/src/fix_nve.cpp +++ b/src/fix_nve.cpp @@ -28,6 +28,8 @@ FixNVE::FixNVE(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) { if (narg != 3) error->all("Illegal fix nve command"); + + time_integrate = 1; } /* ---------------------------------------------------------------------- */ diff --git a/src/fix_nve_limit.cpp b/src/fix_nve_limit.cpp index f246ed6f5b..0fd132f26b 100644 --- a/src/fix_nve_limit.cpp +++ b/src/fix_nve_limit.cpp @@ -31,6 +31,7 @@ FixNVELimit::FixNVELimit(LAMMPS *lmp, int narg, char **arg) : { if (narg != 4) error->all("Illegal fix nve/limit command"); + time_integrate = 1; scalar_flag = 1; scalar_vector_freq = 1; extscalar = 1; diff --git a/src/fix_nvt.cpp b/src/fix_nvt.cpp index 632b765bdc..6a806c1f6c 100644 --- a/src/fix_nvt.cpp +++ b/src/fix_nvt.cpp @@ -41,6 +41,7 @@ FixNVT::FixNVT(LAMMPS *lmp, int narg, char **arg) : if (narg < 6) error->all("Illegal fix nvt command"); restart_global = 1; + time_integrate = 1; scalar_flag = 1; scalar_vector_freq = 1; extscalar = 1; diff --git a/src/fix_rigid.cpp b/src/fix_rigid.cpp index d443530b8d..9a74fc99e6 100644 --- a/src/fix_rigid.cpp +++ b/src/fix_rigid.cpp @@ -43,6 +43,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) : { int i,ibody; + time_integrate = 1; rigid_flag = 1; virial_flag = 1;