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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2949 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-07-02 16:19:33 +00:00
parent ddd61344db
commit d3cbb24f81
1 changed files with 14 additions and 11 deletions
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25
src/modify.cpp
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@ -174,6 +174,20 @@ void Modify::init()
list_init(MIN_POST_FORCE,n_min_post_force,list_min_post_force); list_init(MIN_POST_FORCE,n_min_post_force,list_min_post_force);
list_init(MIN_ENERGY,n_min_energy,list_min_energy); list_init(MIN_ENERGY,n_min_energy,list_min_energy);
// init each fix
// needs to come before compute init
// this is b/c some computes call fix->dof()
// FixRigid::dof() depends on its own init having been called
comm->maxforward_fix = comm->maxreverse_fix = 0;
for (i = 0; i < nfix; i++) fix[i]->init();
// set global flag if any fix has its restart_pbc flag set
restart_pbc_any = 0;
for (i = 0; i < nfix; i++)
if (fix[i]->restart_pbc) restart_pbc_any = 1;
// create list of computes that store invocation times // create list of computes that store invocation times
list_init_compute(); list_init_compute();
@ -187,17 +201,6 @@ void Modify::init()
for (i = 0; i < ncompute; i++) compute[i]->init(); for (i = 0; i < ncompute; i++) compute[i]->init();
addstep_compute_all(update->ntimestep); addstep_compute_all(update->ntimestep);
// init each fix
comm->maxforward_fix = comm->maxreverse_fix = 0;
for (i = 0; i < nfix; i++) fix[i]->init();
// set global flag if any fix has its restart_pbc flag set
restart_pbc_any = 0;
for (i = 0; i < nfix; i++)
if (fix[i]->restart_pbc) restart_pbc_any = 1;
// warn if any particle is time integrated more than once // warn if any particle is time integrated more than once
int nlocal = atom->nlocal; int nlocal = atom->nlocal;