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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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10
src/fix_nve.cpp
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@ -48,6 +48,7 @@ void FixNVE::init()
{
dtv = update->dt;
dtf = 0.5 * update->dt * force->ftm2v;
dtq = 0.5 * update->dt;
if (strcmp(update->integrate_style,"respa") == 0)
step_respa = ((Respa *) update->integrate)->step;
@ -154,3 +155,12 @@ void FixNVE::final_integrate_respa(int ilevel)
dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
final_integrate();
}
/* ---------------------------------------------------------------------- */
void FixNVE::reset_dt()
{
dtv = update->dt;
dtf = 0.5 * update->dt * force->ftm2v;
dtq = 0.5 * update->dt;
}