From 3d03e6c7a15a9a86592d593b23503b80f9ef1d3d Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 6 Apr 2009 21:03:10 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2735 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/fix_ttm.html | 8 +++++++- doc/fix_ttm.txt | 8 +++++++- 2 files changed, 14 insertions(+), 2 deletions(-) diff --git a/doc/fix_ttm.html b/doc/fix_ttm.html index 29b24af3ff..90b66e4f81 100644 --- a/doc/fix_ttm.html +++ b/doc/fix_ttm.html @@ -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 (gamma_p), and one for electron stopping (gamma_s).

When the friction coefficient due to electron stopping, gamma_s, 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. fix nvt or fix langevin.

+

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 diff --git a/doc/fix_ttm.txt b/doc/fix_ttm.txt index 7e7c776af9..691165b880 100644 --- a/doc/fix_ttm.txt +++ b/doc/fix_ttm.txt @@ -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