forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -312,6 +312,8 @@ void Respa::setup()
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{
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if (comm->me == 0 && screen) fprintf(screen,"Setting up run ...\n");
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update->setupflag = 1;
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// setup domain, communication and neighboring
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// acquire ghosts
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// build neighbor lists
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@ -362,6 +364,7 @@ void Respa::setup()
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modify->setup(vflag);
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sum_flevel_f();
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output->setup(1);
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update->setupflag = 0;
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}
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/* ----------------------------------------------------------------------
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@ -372,6 +375,8 @@ void Respa::setup()
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void Respa::setup_minimal(int flag)
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{
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update->setupflag = 1;
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// setup domain, communication and neighboring
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// acquire ghosts
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// build neighbor lists
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@ -421,6 +426,7 @@ void Respa::setup_minimal(int flag)
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modify->setup(vflag);
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sum_flevel_f();
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update->setupflag = 0;
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}
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/* ----------------------------------------------------------------------
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@ -42,6 +42,7 @@ Update::Update(LAMMPS *lmp) : Pointers(lmp)
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whichflag = 0;
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firststep = laststep = 0;
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beginstep = endstep = 0;
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setupflag = 0;
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restrict_output = 0;
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@ -30,6 +30,7 @@ class Update : protected Pointers {
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int first_update; // 0 before initial update, 1 after
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int max_eval; // max force evaluations for minimizer
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int restrict_output; // 1 if output should not write dump/restart
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int setupflag; // set when setup() is computing forces
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int eflag_global,eflag_atom; // timestep global/peratom eng is tallied on
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int vflag_global,vflag_atom; // ditto for virial
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@ -81,6 +81,8 @@ void Verlet::setup()
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{
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if (comm->me == 0 && screen) fprintf(screen,"Setting up run ...\n");
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update->setupflag = 1;
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// setup domain, communication and neighboring
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// acquire ghosts
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// build neighbor lists
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@ -122,6 +124,7 @@ void Verlet::setup()
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modify->setup(vflag);
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output->setup(1);
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update->setupflag = 0;
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}
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/* ----------------------------------------------------------------------
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@ -132,6 +135,8 @@ void Verlet::setup()
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void Verlet::setup_minimal(int flag)
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{
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update->setupflag = 1;
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// setup domain, communication and neighboring
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// acquire ghosts
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// build neighbor lists
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@ -172,6 +177,7 @@ void Verlet::setup_minimal(int flag)
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if (force->newton) comm->reverse_comm();
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modify->setup(vflag);
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update->setupflag = 0;
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}
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/* ----------------------------------------------------------------------
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