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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2735 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-04-06 21:03:10 +00:00
parent 03e8bd4fb2
commit 3d03e6c7a1
2 changed files with 14 additions and 2 deletions
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8
doc/fix_ttm.html
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@ -65,7 +65,7 @@ thermostat couples the temperature of the atoms to an infinite heat
reservoir, whereas the heat reservoir for fix TTM is finite and
represents the local electrons. Third, the TTM fix allows users to
specify not just one friction coefficient, but rather two independent
friction coefficients: one for the electron-ion interactions
friction coefficients: one for the electron-ion interactions
(<I>gamma_p</I>), and one for electron stopping (<I>gamma_s</I>).
</P>
<P>When the friction coefficient due to electron stopping, <I>gamma_s</I>, is
@ -145,6 +145,12 @@ atoms. This fix should not normally be used on atoms that have their
temperature controlled by another fix - e.g. <A HREF = "fix_nvt.html">fix nvt</A> or
<A HREF = "fix_langevin.html">fix langevin</A>.
</P>
<P>IMPORTANT NOTE: The current implementation creates a copy of the
electron grid that overlays the entire simulation domain, for each
processor. Values on the grid are summed across all processors. Thus
you should insure that this grid is not too large, else your
simulation could incur high memory and communication costs.
</P>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

8
doc/fix_ttm.txt
View File

@ -62,7 +62,7 @@ thermostat couples the temperature of the atoms to an infinite heat
reservoir, whereas the heat reservoir for fix TTM is finite and
represents the local electrons. Third, the TTM fix allows users to
specify not just one friction coefficient, but rather two independent
friction coefficients: one for the electron-ion interactions
friction coefficients: one for the electron-ion interactions
({gamma_p}), and one for electron stopping ({gamma_s}).
When the friction coefficient due to electron stopping, {gamma_s}, is
@ -142,6 +142,12 @@ atoms. This fix should not normally be used on atoms that have their
temperature controlled by another fix - e.g. "fix nvt"_fix_nvt.html or
"fix langevin"_fix_langevin.html.
IMPORTANT NOTE: The current implementation creates a copy of the
electron grid that overlays the entire simulation domain, for each
processor. Values on the grid are summed across all processors. Thus
you should insure that this grid is not too large, else your
simulation could incur high memory and communication costs.
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart