From a61a72719f3d02ee37b6e281108ad218ce13c8e2 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 12 Sep 2013 18:36:54 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10765 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/KAPPA/README | 13 +++++++++---- examples/README | 4 ++++ 2 files changed, 13 insertions(+), 4 deletions(-) diff --git a/examples/KAPPA/README b/examples/KAPPA/README index c576258b3f..4c54388797 100644 --- a/examples/KAPPA/README +++ b/examples/KAPPA/README @@ -1,8 +1,13 @@ This directory has 4 scripts that compute the thermal conductivity (kappa) of a Lennard-Jones fluid using 4 different methods. See the discussion in Section 6.20 of the manual for an overview of the -methods and pointers to which commands implement them. Citations can -also be found in the manaul. +methods and pointers to doc pages for the commands which implement +them. Citations for the various methods can also be found in the +manaul. + +These scripts are provided for illustration purposes. No guarantee is +made that the systems are fully equilibrated or that the runs are long +enough to generate good statistics and highly accurate results. ------------- @@ -76,8 +81,8 @@ Kappa = 3.45 (4) in.heatflux -kappa is computed directly within the script, by performing the time -integration for the formulas discussed on the compute heat/flux doc +kappa is computed directly within the script, by performing a time +integration of the formulas discussed on the compute heat/flux doc page - the resulting value prints at the end of the run and is in the log file diff --git a/examples/README b/examples/README index 27c851035f..1723c58309 100644 --- a/examples/README +++ b/examples/README @@ -123,6 +123,10 @@ The ELASTIC directory has an example script for computing elastic constants, using a zero temperature Si example. See the ELASTIC/in.elastic file for more info. +The KAPPA directory has an example scripts for computing the thermal +conductivity (kappa) of a LJ liquid using 4 different methods. See +the KAPPA/README file for more info. + The USER directory contains subdirectories of user-provided example scripts for ser packages. See the README files in those directories for more info. See the doc/Section_start.html file for more info