http://
cst-www.nrl.navy.mil/ccm6/
ap/index.htmlCenter for Computational Materials Science of the Naval Research Laboratory.
The Atomistic Potential (AP) module is designed to study systems with large numbers of atoms using potentials which are fit to the results of first-principles results and to experiment.
The module consists of two parts:
This is a library of atomistic potentials based on the Embedded Atom method, which are, as noted, designed to reproduce the results of first-principles calculations over a wide range of structures. The library index also includes references to the journal articles detailing the development of these parameters.
The Simulator of Lattice Defects (SOLD) package is a scalable, parallel code which implements a numter of atomistic simulation methods, including molecular statistics, molecular dynamics, and Monte Carlo.
Download the SOLD manual (PDF Format)
Downloading the SOLD code requires registration. To register, please go to the CHSSI CCM-3 and CCM-6 Code Registration page. After registration, you will receive an email detailing the procedure for downloading the SOLD code.
Section 2.1.3 of the Revised CCM6 Report to the External Reviewers describes the tests conducted on the AP module the CCM-6 Operational Test Readiness Review (OTRR). It serves as a useful description of the capabilities of the code. In particular, users are advised to study Table 3 of this report, which shows the performance of the SOLD code as a function of processor number on various platforms.
| Page Created: 10 May 2002 | Last Update: 11 March 2003 | URL: http:// |
| Contact: mehl@dave.nrl.navy.mil | This page was produced at the Center for Computational Materials Science of the Naval Research Laboratory. |
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