From 00a08063c9bfeea2732460c425969033d99ccc3c Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 10 Apr 2008 21:14:17 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1736 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/units.html | 21 ++++++++++++--------- doc/units.txt | 17 ++++++++++------- 2 files changed, 22 insertions(+), 16 deletions(-) diff --git a/doc/units.html b/doc/units.html index 1d2e01f7d8..a80168afd1 100644 --- a/doc/units.html +++ b/doc/units.html @@ -30,15 +30,20 @@ and data file, as well as quantities output to the screen, log file, and dump files. Typically, this command is used at the very beginning of an input script.

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For real and metallic units, LAMMPS uses physical constants from +

For real and metal units, LAMMPS uses physical constants from www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS uses the thermochemical calorie = 4.184 J.

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For style lj, all quantities are unitless. The formula relating the -reduced or unitless quantity (with an asterisk) to the same quantity -with units is also given: +

For style lj, all quantities are unitless. Without loss of +generality, LAMMPS sets the fundamental quantities mass, sigma, +epsilon, and the Boltzmann constant = 1. The masses, distances, +energies you specify are multiples of these fundamental values. The +formulas relating the reduced or unitless quantity (with an asterisk) +to the same quantity with units is also given. Thus you can use the +mass & sigma & epsilon values for a specific material and convert the +results from a unitless LJ simulation into physical quantities.

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