fix aveforce and minimize commands?

Hi all,

When you use the fix aveforce command, do you need to follow up with a
minimize command to invoke that command? From the manual, I'm inclined
to think so.

But from the lammps examples I downloaded that use the fix aveforce
command, no minimize command is there. So what is the right way?

Thanks,
Quang.

Hi all,

When you use the fix aveforce command, do you need to follow up with a
minimize command to invoke that command? From the manual, I'm inclined
to think so.

a fix is a manipulation of the system that will not be
called immediately, but periodically at certain points
during the propagation of your system.

propagation can be triggered via both "run" or "minimize".

But from the lammps examples I downloaded that use the fix aveforce
command, no minimize command is there. So what is the right way?

the developer documentation gives an overview of what happens
during lammps execution. perhaps that can help you to understand.

http://lammps.sandia.gov/doc/Developer.pdf

axel.

So the "fix" command can also be called by "run", I see... Thank you for
the Developer document, that helps a lot!

Quang.

So the "fix" command can also be called by "run", I see... Thank you for
the Developer document, that helps a lot!

not "also". a fix command provides certain system
manipulations. there are a number of options that
can be called at different points during the propagation
of a system. the fix itself registers which operations
it supports and then all fixes that are defined get called
at the appropriate times.

axel.