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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 (large energies and forces) to still be minimized by pushing the atoms
off of each other. off of each other.
</P> </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 <P>Following the minimization a statistical summary is printed that
includes the energy change and convergence criteria information. includes the energy change and convergence criteria information.
</P> </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 (i.e. allow the box dimensions to change), but this has not yet been
implemented. implemented.
</P> </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><B>Related commands:</B>
</P> </P>
<P><A HREF = "min_modify.html">min_modify</A>, <A HREF = "min_style.html">min_style</A>, <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 (large energies and forces) to still be minimized by pushing the atoms
off of each other. 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 Following the minimization a statistical summary is printed that
includes the energy change and convergence criteria information. 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 (i.e. allow the box dimensions to change), but this has not yet been
implemented. 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:] [Related commands:]
"min_modify"_min_modify.html, "min_style"_min_style.html, "min_modify"_min_modify.html, "min_style"_min_style.html,