Loading doc/fix_viscous.html +7 −2 Original line number Diff line number Diff line Loading @@ -57,6 +57,11 @@ optional keyword <I>scale</I> is used, gamma can scaled up or down by the specified factor for atoms of that type. It can be used multiple times to adjust gamma for several atom types. </P> <P>IMPORTANT NOTE: You should specify gamma in force/velocity units. This is not the same as mass/time units, at least for some of the LAMMPS <A HREF = "units.html">units</A> options like "real" or "metal" that are not self-consistent. </P> <P>In a Brownian dynamics context, gamma = kT / D, where k = Boltzmann's constant, T = temperature, and D = particle diffusion coefficient. D can be written as kT / (3 pi eta d), where eta = dynamic viscosity of Loading @@ -76,8 +81,8 @@ viscous damping term as fix viscous and adds a random force to each atom. Hence if using fix <I>langevin</I> you do not typically need to use fix <I>viscous</I>. Also note that the gamma of fix viscous is related to the damping parameter of <A HREF = "fix_langevin.html">fix langevin</A>, except that the units of gamma are force/velocity (or mass/time) and the units of damp are time, so that it can more easily be used as a thermostat. the units of gamma are force/velocity and the units of damp are time, so that it can more easily be used as a thermostat. </P> <P><B>Restart, fix_modify, output, run start/stop, minimize info:</B> </P> Loading doc/fix_viscous.txt +7 −2 Original line number Diff line number Diff line Loading @@ -47,6 +47,11 @@ optional keyword {scale} is used, gamma can scaled up or down by the specified factor for atoms of that type. It can be used multiple times to adjust gamma for several atom types. IMPORTANT NOTE: You should specify gamma in force/velocity units. This is not the same as mass/time units, at least for some of the LAMMPS "units"_units.html options like "real" or "metal" that are not self-consistent. In a Brownian dynamics context, gamma = kT / D, where k = Boltzmann's constant, T = temperature, and D = particle diffusion coefficient. D can be written as kT / (3 pi eta d), where eta = dynamic viscosity of Loading @@ -66,8 +71,8 @@ viscous damping term as fix viscous and adds a random force to each atom. Hence if using fix {langevin} you do not typically need to use fix {viscous}. Also note that the gamma of fix viscous is related to the damping parameter of "fix langevin"_fix_langevin.html, except that the units of gamma are force/velocity (or mass/time) and the units of damp are time, so that it can more easily be used as a thermostat. the units of gamma are force/velocity and the units of damp are time, so that it can more easily be used as a thermostat. [Restart, fix_modify, output, run start/stop, minimize info:] Loading Loading
doc/fix_viscous.html +7 −2 Original line number Diff line number Diff line Loading @@ -57,6 +57,11 @@ optional keyword <I>scale</I> is used, gamma can scaled up or down by the specified factor for atoms of that type. It can be used multiple times to adjust gamma for several atom types. </P> <P>IMPORTANT NOTE: You should specify gamma in force/velocity units. This is not the same as mass/time units, at least for some of the LAMMPS <A HREF = "units.html">units</A> options like "real" or "metal" that are not self-consistent. </P> <P>In a Brownian dynamics context, gamma = kT / D, where k = Boltzmann's constant, T = temperature, and D = particle diffusion coefficient. D can be written as kT / (3 pi eta d), where eta = dynamic viscosity of Loading @@ -76,8 +81,8 @@ viscous damping term as fix viscous and adds a random force to each atom. Hence if using fix <I>langevin</I> you do not typically need to use fix <I>viscous</I>. Also note that the gamma of fix viscous is related to the damping parameter of <A HREF = "fix_langevin.html">fix langevin</A>, except that the units of gamma are force/velocity (or mass/time) and the units of damp are time, so that it can more easily be used as a thermostat. the units of gamma are force/velocity and the units of damp are time, so that it can more easily be used as a thermostat. </P> <P><B>Restart, fix_modify, output, run start/stop, minimize info:</B> </P> Loading
doc/fix_viscous.txt +7 −2 Original line number Diff line number Diff line Loading @@ -47,6 +47,11 @@ optional keyword {scale} is used, gamma can scaled up or down by the specified factor for atoms of that type. It can be used multiple times to adjust gamma for several atom types. IMPORTANT NOTE: You should specify gamma in force/velocity units. This is not the same as mass/time units, at least for some of the LAMMPS "units"_units.html options like "real" or "metal" that are not self-consistent. In a Brownian dynamics context, gamma = kT / D, where k = Boltzmann's constant, T = temperature, and D = particle diffusion coefficient. D can be written as kT / (3 pi eta d), where eta = dynamic viscosity of Loading @@ -66,8 +71,8 @@ viscous damping term as fix viscous and adds a random force to each atom. Hence if using fix {langevin} you do not typically need to use fix {viscous}. Also note that the gamma of fix viscous is related to the damping parameter of "fix langevin"_fix_langevin.html, except that the units of gamma are force/velocity (or mass/time) and the units of damp are time, so that it can more easily be used as a thermostat. the units of gamma are force/velocity and the units of damp are time, so that it can more easily be used as a thermostat. [Restart, fix_modify, output, run start/stop, minimize info:] Loading
