From f14e5cdce67b68d806482fef9ddee895c51b0674 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 18 Nov 2014 00:15:46 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MANYBODY/fix_qeq_comb.cpp | 2 -- src/MISC/fix_ttm.cpp | 1 - src/MOLECULE/dihedral_charmm.cpp | 1 - src/MOLECULE/dihedral_harmonic.cpp | 1 - src/MOLECULE/dihedral_helix.cpp | 1 - src/MOLECULE/improper_cvff.cpp | 1 - src/MOLECULE/improper_harmonic.cpp | 1 - src/RIGID/fix_shake.cpp | 1 - src/balance.cpp | 1 - src/change_box.cpp | 1 - src/comm_brick.cpp | 1 - src/comm_tiled.cpp | 1 - src/compute.cpp | 1 - src/compute_temp_region.cpp | 3 +++ src/displace_atoms.cpp | 1 - src/dump.cpp | 1 - src/fix_tmd.cpp | 1 - src/irregular.cpp | 1 - src/library.cpp | 1 - src/min_cg.cpp | 1 - src/min_quickmin.cpp | 1 - src/neighbor.cpp | 1 - src/read_data.cpp | 1 - src/read_dump.cpp | 1 - src/read_restart.cpp | 1 - src/rerun.cpp | 1 - src/thermo.cpp | 1 - src/velocity.cpp | 1 - src/write_data.cpp | 1 - src/write_restart.cpp | 1 - 30 files changed, 3 insertions(+), 30 deletions(-) diff --git a/src/MANYBODY/fix_qeq_comb.cpp b/src/MANYBODY/fix_qeq_comb.cpp index b017acf227..877ff1c292 100644 --- a/src/MANYBODY/fix_qeq_comb.cpp +++ b/src/MANYBODY/fix_qeq_comb.cpp @@ -12,11 +12,9 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ray Shan (Sandia, tnshan@sandia.gov) ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/MISC/fix_ttm.cpp b/src/MISC/fix_ttm.cpp index abd145a092..f3e25d5ff0 100644 --- a/src/MISC/fix_ttm.cpp +++ b/src/MISC/fix_ttm.cpp @@ -16,7 +16,6 @@ Carolyn Phillips (University of Michigan) ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "string.h" diff --git a/src/MOLECULE/dihedral_charmm.cpp b/src/MOLECULE/dihedral_charmm.cpp index 671514fc5d..a72ae07e1d 100644 --- a/src/MOLECULE/dihedral_charmm.cpp +++ b/src/MOLECULE/dihedral_charmm.cpp @@ -15,7 +15,6 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/MOLECULE/dihedral_harmonic.cpp b/src/MOLECULE/dihedral_harmonic.cpp index 0c0ff327ba..865500cfdc 100644 --- a/src/MOLECULE/dihedral_harmonic.cpp +++ b/src/MOLECULE/dihedral_harmonic.cpp @@ -15,7 +15,6 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/MOLECULE/dihedral_helix.cpp b/src/MOLECULE/dihedral_helix.cpp index 744f3b4915..f6fb9f3298 100644 --- a/src/MOLECULE/dihedral_helix.cpp +++ b/src/MOLECULE/dihedral_helix.cpp @@ -16,7 +16,6 @@ Mark Stevens (Sandia) ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/MOLECULE/improper_cvff.cpp b/src/MOLECULE/improper_cvff.cpp index 3d33b3b9f7..fde5738c51 100644 --- a/src/MOLECULE/improper_cvff.cpp +++ b/src/MOLECULE/improper_cvff.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/MOLECULE/improper_harmonic.cpp b/src/MOLECULE/improper_harmonic.cpp index 19f845452a..4a357834a3 100644 --- a/src/MOLECULE/improper_harmonic.cpp +++ b/src/MOLECULE/improper_harmonic.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/RIGID/fix_shake.cpp b/src/RIGID/fix_shake.cpp index 2aa99a82aa..570e721819 100644 --- a/src/RIGID/fix_shake.cpp +++ b/src/RIGID/fix_shake.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/balance.cpp b/src/balance.cpp index 76789211d7..ca446f29bb 100644 --- a/src/balance.cpp +++ b/src/balance.cpp @@ -13,7 +13,6 @@ //#define BALANCE_DEBUG 1 -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/change_box.cpp b/src/change_box.cpp index 4237e973b2..a969bc7465 100644 --- a/src/change_box.cpp +++ b/src/change_box.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/comm_brick.cpp b/src/comm_brick.cpp index a1e2ce3767..30512271ce 100644 --- a/src/comm_brick.cpp +++ b/src/comm_brick.cpp @@ -15,7 +15,6 @@ Contributing author (triclinic) : Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "string.h" diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp index 816ab5e959..bec755d062 100644 --- a/src/comm_tiled.cpp +++ b/src/comm_tiled.cpp @@ -12,7 +12,6 @@ ------------------------------------------------------------------------- */ #include "string.h" -#include "lmptype.h" #include "comm_tiled.h" #include "comm_brick.h" #include "atom.h" diff --git a/src/compute.cpp b/src/compute.cpp index 207823527d..5f41cbf837 100644 --- a/src/compute.cpp +++ b/src/compute.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "stdlib.h" #include "string.h" diff --git a/src/compute_temp_region.cpp b/src/compute_temp_region.cpp index bcd5864783..a90f7aefe2 100644 --- a/src/compute_temp_region.cpp +++ b/src/compute_temp_region.cpp @@ -19,6 +19,7 @@ #include "force.h" #include "domain.h" #include "region.h" +#include "group.h" #include "memory.h" #include "error.h" @@ -74,6 +75,8 @@ void ComputeTempRegion::init() void ComputeTempRegion::setup() { + dynamic = 0; + if (dynamic_user || group->dynamic[igroup]) dynamic = 1; dof = 0.0; } diff --git a/src/displace_atoms.cpp b/src/displace_atoms.cpp index 1c08439455..8dd552bb25 100644 --- a/src/displace_atoms.cpp +++ b/src/displace_atoms.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "stdlib.h" #include "string.h" diff --git a/src/dump.cpp b/src/dump.cpp index c3ac1b11dd..c1f52db11c 100644 --- a/src/dump.cpp +++ b/src/dump.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "stdlib.h" #include "string.h" diff --git a/src/fix_tmd.cpp b/src/fix_tmd.cpp index 8ac0533fff..5820ffb5ed 100644 --- a/src/fix_tmd.cpp +++ b/src/fix_tmd.cpp @@ -16,7 +16,6 @@ Christian Burisch (Bochum Univeristy, Germany) ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/irregular.cpp b/src/irregular.cpp index 9fd478a9da..9e90d67b36 100644 --- a/src/irregular.cpp +++ b/src/irregular.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "stdlib.h" #include "string.h" diff --git a/src/library.cpp b/src/library.cpp index 2018c0ee7d..8fa32444d0 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -14,7 +14,6 @@ // C or Fortran style library interface to LAMMPS // customize by adding new LAMMPS-specific functions -#include "lmptype.h" #include "mpi.h" #include "string.h" #include "stdlib.h" diff --git a/src/min_cg.cpp b/src/min_cg.cpp index a9887a6cec..f88426f587 100644 --- a/src/min_cg.cpp +++ b/src/min_cg.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "string.h" diff --git a/src/min_quickmin.cpp b/src/min_quickmin.cpp index 46e418f6c7..7de5dc6c99 100644 --- a/src/min_quickmin.cpp +++ b/src/min_quickmin.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "min_quickmin.h" diff --git a/src/neighbor.cpp b/src/neighbor.cpp index 65c875717f..0b8ab564a4 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -15,7 +15,6 @@ Contributing author (triclinic and multi-neigh) : Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/read_data.cpp b/src/read_data.cpp index 0932889114..ed7acf22ac 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "string.h" diff --git a/src/read_dump.cpp b/src/read_dump.cpp index 164496c762..bbe1b4cd71 100644 --- a/src/read_dump.cpp +++ b/src/read_dump.cpp @@ -15,7 +15,6 @@ Contributing author: Timothy Sirk (ARL) ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "string.h" #include "stdlib.h" diff --git a/src/read_restart.cpp b/src/read_restart.cpp index d49c271ac9..0b7c71502d 100644 --- a/src/read_restart.cpp +++ b/src/read_restart.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "string.h" #include "stdlib.h" diff --git a/src/rerun.cpp b/src/rerun.cpp index 0520ab3ddf..82a5209b40 100644 --- a/src/rerun.cpp +++ b/src/rerun.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "stdlib.h" #include "string.h" #include "rerun.h" diff --git a/src/thermo.cpp b/src/thermo.cpp index e4e6852f6b..3656300f51 100644 --- a/src/thermo.cpp +++ b/src/thermo.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdlib.h" diff --git a/src/velocity.cpp b/src/velocity.cpp index 043a36690d..7e6ef94d54 100644 --- a/src/velocity.cpp +++ b/src/velocity.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "math.h" #include "stdio.h" diff --git a/src/write_data.cpp b/src/write_data.cpp index 6fd239461f..fb29cf0611 100644 --- a/src/write_data.cpp +++ b/src/write_data.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "string.h" #include "write_data.h" diff --git a/src/write_restart.cpp b/src/write_restart.cpp index 27ebac3c7a..e6e8d397dc 100644 --- a/src/write_restart.cpp +++ b/src/write_restart.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lmptype.h" #include "mpi.h" #include "string.h" #include "write_restart.h"