From 71cb6d3821dab9ec54c19d33ca20ef35883aa850 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 7 Dec 2010 15:26:24 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5365 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/pair_eam.html | 13 +++++++------ doc/pair_eam.txt | 13 +++++++------ 2 files changed, 14 insertions(+), 12 deletions(-) diff --git a/doc/pair_eam.html b/doc/pair_eam.html index f396dc55a9..1700bb37c6 100644 --- a/doc/pair_eam.html +++ b/doc/pair_eam.html @@ -144,8 +144,8 @@ file is formatted as follows:
  • line 3: Nrho, drho, Nr, dr, cutoff

    On line 2, all values but the mass are ignored by LAMMPS. The mass is -in mass units (e.g. mass number or grams/mole for metal -units). The cubic lattice constant is in Angstroms. On line 3, Nrho +in mass units, e.g. mass number or grams/mole for metal +units. The cubic lattice constant is in Angstroms. On line 3, Nrho and Nr are the number of tabulated values in the subsequent arrays, drho and dr are the spacing in density and distance space for the values in those arrays, and the specified cutoff becomes the pairwise @@ -251,10 +251,11 @@ element, each with the following format:

  • embedding function F(rho) (Nrho values)
  • density function rho(r) (Nr values) -

    As with the funcfl files, only the mass (g/cm^3) is used by LAMMPS -from the 1st line. The cubic lattice constant is in Angstroms. The F -and rho arrays are unique to a single element and have the same format -and units as in a funcfl file. +

    As with the funcfl files, only the mass (in mass units, +e.g. mass number or grams/mole for metal units) is used by LAMMPS from +the 1st line. The cubic lattice constant is in Angstroms. The F and +rho arrays are unique to a single element and have the same format and +units as in a funcfl file.

    Following the Nelements sections, Nr values for each pair potential phi(r) array are listed for all i,j element pairs in the same format diff --git a/doc/pair_eam.txt b/doc/pair_eam.txt index e237abc007..35e0114cb7 100644 --- a/doc/pair_eam.txt +++ b/doc/pair_eam.txt @@ -135,8 +135,8 @@ line 2: atomic number, mass, lattice constant, lattice type (e.g. FCC) line 3: Nrho, drho, Nr, dr, cutoff :ul On line 2, all values but the mass are ignored by LAMMPS. The mass is -in mass "units"_units.html (e.g. mass number or grams/mole for metal -units). The cubic lattice constant is in Angstroms. On line 3, Nrho +in mass "units"_units.html, e.g. mass number or grams/mole for metal +units. The cubic lattice constant is in Angstroms. On line 3, Nrho and Nr are the number of tabulated values in the subsequent arrays, drho and dr are the spacing in density and distance space for the values in those arrays, and the specified cutoff becomes the pairwise @@ -242,10 +242,11 @@ line 1 = atomic number, mass, lattice constant, lattice type (e.g. FCC) embedding function F(rho) (Nrho values) density function rho(r) (Nr values) :ul -As with the {funcfl} files, only the mass (g/cm^3) is used by LAMMPS -from the 1st line. The cubic lattice constant is in Angstroms. The F -and rho arrays are unique to a single element and have the same format -and units as in a {funcfl} file. +As with the {funcfl} files, only the mass (in mass "units"_units.html, +e.g. mass number or grams/mole for metal units) is used by LAMMPS from +the 1st line. The cubic lattice constant is in Angstroms. The F and +rho arrays are unique to a single element and have the same format and +units as in a {funcfl} file. Following the Nelements sections, Nr values for each pair potential phi(r) array are listed for all i,j element pairs in the same format