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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11935 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-05-07 14:30:27 +00:00
parent 71699d5d89
commit 53db68362e
16 changed files with 40 additions and 47 deletions
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13
src/compute.cpp
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@ -21,6 +21,8 @@
#include "domain.h"
#include "comm.h"
#include "group.h"
#include "modify.h"
#include "fix.h"
#include "atom_masks.h"
#include "memory.h"
#include "error.h"
@ -131,6 +133,17 @@ void Compute::modify_params(int narg, char **arg)
}
}
/* ----------------------------------------------------------------------
calculate adjustment in DOF due to fixes
------------------------------------------------------------------------- */
void Compute::adjust_dof_fix()
{
fix_dof = 0;
for (int i = 0; i < modify->nfix; i++)
fix_dof += modify->fix[i]->dof(igroup);
}
/* ----------------------------------------------------------------------
reset extra_dof to its default value
------------------------------------------------------------------------- */