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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1244 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2007-12-11 15:29:25 +00:00
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14
doc/minimize.html
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@ -34,6 +34,13 @@ fashion that should allow for systems with highly overlapped atoms
(large energies and forces) to still be minimized by pushing the atoms
off of each other.
</P>
<P>Alternate means of relaxing a system are to run dynamics with a small
or <A HREF = "fix_nve_limit.html">limited timestep</A>. Or dynamics can be run
using <A HREF = "fix_viscous.html">fix viscous</A> to impose a damping force that
slowly drains all kinetic energy from the system. The <A HREF = "pair_soft.html">pair_style
soft</A> potential can be used to un-overlap atoms while
running dynamics.
</P>
<P>Following the minimization a statistical summary is printed that
includes the energy change and convergence criteria information.
</P>
@ -101,6 +108,13 @@ external pressure that would be included in the minimization
(i.e. allow the box dimensions to change), but this has not yet been
implemented.
</P>
<P>Pair potentials that produce torque on a particle (e.g. <A HREF = "pair_gran.html">granular
potentials</A> or the <A HREF = "pair_gayberne.html">GayBerne
potential</A> for ellipsoidal particles) are not
relaxed by a minimization. More specifically, radial relaxations are
induced, but no rotations are induced by a minimization, so such a
system will not fully relax.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "min_modify.html">min_modify</A>, <A HREF = "min_style.html">min_style</A>,

14
doc/minimize.txt
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@ -31,6 +31,13 @@ fashion that should allow for systems with highly overlapped atoms
(large energies and forces) to still be minimized by pushing the atoms
off of each other.
Alternate means of relaxing a system are to run dynamics with a small
or "limited timestep"_fix_nve_limit.html. Or dynamics can be run
using "fix viscous"_fix_viscous.html to impose a damping force that
slowly drains all kinetic energy from the system. The "pair_style
soft"_pair_soft.html potential can be used to un-overlap atoms while
running dynamics.
Following the minimization a statistical summary is printed that
includes the energy change and convergence criteria information.
@ -98,6 +105,13 @@ external pressure that would be included in the minimization
(i.e. allow the box dimensions to change), but this has not yet been
implemented.
Pair potentials that produce torque on a particle (e.g. "granular
potentials"_pair_gran.html or the "GayBerne
potential"_pair_gayberne.html for ellipsoidal particles) are not
relaxed by a minimization. More specifically, radial relaxations are
induced, but no rotations are induced by a minimization, so such a
system will not fully relax.
[Related commands:]
"min_modify"_min_modify.html, "min_style"_min_style.html,