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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1000 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2007-10-10 22:22:16 +00:00
parent d914548318
commit 0f3f037edc
53 changed files with 233 additions and 69 deletions
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14
src/fix_shake.cpp
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@ -2306,3 +2306,17 @@ void FixShake::unpack_comm(int n, int first, double *buf)
xshake[i][2] = buf[m++];
}
}
/* ---------------------------------------------------------------------- */
void FixShake::reset_dt()
{
if (strcmp(update->integrate_style,"verlet") == 0) {
dtv = update->dt;
dtfsq = update->dt * update->dt * force->ftm2v;
} else {
dtv = step_respa[0];
dtf_innerhalf = 0.5 * step_respa[0] * force->ftm2v;
dtf_inner = step_respa[0] * force->ftm2v;
}
}