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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1360 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-01-09 21:56:57 +00:00
parent 6eacb0b5f9
commit b2b8adfae9
99 changed files with 487 additions and 375 deletions
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6
src/verlet.cpp
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@ -117,7 +117,7 @@ void Verlet::setup()
if (force->newton) comm->reverse_communicate();
modify->setup();
modify->setup(vflag);
output->setup(1);
}
@ -132,10 +132,11 @@ void Verlet::iterate(int n)
for (int i = 0; i < n; i++) {
ntimestep = ++update->ntimestep;
ev_set(ntimestep);
// initial time integration
modify->initial_integrate();
modify->initial_integrate(vflag);
// regular communication vs neighbor list rebuild
@ -166,7 +167,6 @@ void Verlet::iterate(int n)
// force computations
ev_set(ntimestep);
force_clear();
timer->stamp();