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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13324 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-27 20:47:17 +00:00
parent 5e65993d98
commit d78fd73223
2 changed files with 8 additions and 8 deletions
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8
doc/fix_temp_csvr.html
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@ -46,10 +46,10 @@ global velocity rescaling with Hamiltonian dynamics (<I>temp/csvr</I>)
similar to the empirical Berendsen thermostat in similar to the empirical Berendsen thermostat in
<A HREF = "fix_temp_berendsen.html">temp/berendsen</A>, but chooses the actual <A HREF = "fix_temp_berendsen.html">temp/berendsen</A>, but chooses the actual
scaling factor from a suitably chosen (gaussian) distribution rather scaling factor from a suitably chosen (gaussian) distribution rather
than having it determined from the time constant directly. In the than having it determined from the time constant directly. In the case
second case the velocities are updated to a linear combination of the of <I>temp/csld</I> the velocities are updated to a linear combination of
current velocities with a gaussian distribution of velocities at the the current velocities with a gaussian distribution of velocities at
desired temperature. Both termostats are applied in every timestep. the desired temperature. Both termostats are applied every timestep.
</P> </P>
<P>The thermostat is applied to only the translational degrees of freedom <P>The thermostat is applied to only the translational degrees of freedom
for the particles, which is an important consideration for finite-size for the particles, which is an important consideration for finite-size

8
doc/fix_temp_csvr.txt
View File

@ -35,10 +35,10 @@ global velocity rescaling with Hamiltonian dynamics ({temp/csvr})
similar to the empirical Berendsen thermostat in similar to the empirical Berendsen thermostat in
"temp/berendsen"_fix_temp_berendsen.html, but chooses the actual "temp/berendsen"_fix_temp_berendsen.html, but chooses the actual
scaling factor from a suitably chosen (gaussian) distribution rather scaling factor from a suitably chosen (gaussian) distribution rather
than having it determined from the time constant directly. In the than having it determined from the time constant directly. In the case
second case the velocities are updated to a linear combination of the of {temp/csld} the velocities are updated to a linear combination of
current velocities with a gaussian distribution of velocities at the the current velocities with a gaussian distribution of velocities at
desired temperature. Both termostats are applied in every timestep. the desired temperature. Both termostats are applied every timestep.
The thermostat is applied to only the translational degrees of freedom The thermostat is applied to only the translational degrees of freedom
for the particles, which is an important consideration for finite-size for the particles, which is an important consideration for finite-size