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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5107 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-10-22 21:27:35 +00:00
parent fe9bbc0737
commit 3bdd4924a5
3 changed files with 13 additions and 4 deletions
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12
src/modify.cpp
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@ -50,6 +50,7 @@ using namespace LAMMPS_NS;
#define MIN_PRE_FORCE 32768
#define MIN_POST_FORCE 65536
#define MIN_ENERGY 131072
#define POST_RUN 262144
#define MIN(A,B) ((A) < (B)) ? (A) : (B)
#define MAX(A,B) ((A) > (B)) ? (A) : (B)
@ -80,7 +81,7 @@ Modify::Modify(LAMMPS *lmp) : Pointers(lmp)
list_pre_force_respa = list_post_force_respa = NULL;
list_final_integrate_respa = NULL;
list_min_pre_exchange = list_min_pre_force =
list_min_post_force = list_min_energy = NULL;
list_min_post_force = list_min_energy = NULL;
end_of_step_every = NULL;
@ -362,6 +363,15 @@ double Modify::thermo_energy()
return energy;
}
/* ----------------------------------------------------------------------
post_run call
------------------------------------------------------------------------- */
void Modify::post_run()
{
for (int i = 0; i < nfix; i++) fix[i]->post_run();
}
/* ----------------------------------------------------------------------
setup rRESPA pre_force call, only for relevant fixes
------------------------------------------------------------------------- */