Loading doc/minimize.html +14 −0 Original line number Diff line number Diff line Loading @@ -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> Loading Loading @@ -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>, Loading doc/minimize.txt +14 −0 Original line number Diff line number Diff line Loading @@ -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. Loading Loading @@ -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, Loading Loading
doc/minimize.html +14 −0 Original line number Diff line number Diff line Loading @@ -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> Loading Loading @@ -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>, Loading
doc/minimize.txt +14 −0 Original line number Diff line number Diff line Loading @@ -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. Loading Loading @@ -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, Loading
