![]() LAMMPS+MEAM is executed as a library inside the MATLAB workspace, not as an external process.Video tutorials for use of the MPC tool can be found here, here, and here. Intended as a teaching tool, the MPC is designed to run on personal computers (Windows 7 64-bit, MacOS X Yosemite) without MATLAB. MEAM Parameter Calibration (MPC) is a graphical MATLAB application for interactive editing of MEAM library and parameter files for single elements or alloys, and for semi-automated calibration of MEAM parameters to fit DFT and/or experimental data. Hierarchical Bridging Between Ab Initio and Atomistic Level Computations: Sensitivity and Uncertainty Analysis for the Modified Embedded-Atom Method (MEAM) Potential (Part B) Hierarchical Bridging Between Ab Initio and Atomistic Level Computations: Calibrating the Modified Embedded Atom Method (MEAM) Potential (Part A) The MEAM parameter calibration tool: an explicit methodology for hierarchical bridging between ab initio and atomistic scales ![]() MPC is mentioned in Chapter 6 of Applications from Engineering with MATLAB Concepts -Ĭase Studies in Using MATLAB to Build Model Calibration Tools for Multiscale Modeling The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements, either expressed or implied, of the Engineer Research & Development Center or the U.S. The user interface was built by Ricolindo L Carino.Įffort sponsored by the Engineer Research & Development Center under Cooperative Agreement number W912HZ-15-2-0004. The MATLAB scripts for the LAMMPS calculations and the gateway functions were written by Christopher D Barrett. The MPCv4 license is File:License BSD 3 MSU.PDFįor questions, comments, and suggestions regarding MPC, send e-mail to Haitham El Kadiri or Mark F Horstemeyer. Click here for an earlier version of MPC. In previous versions, LAMMPS+MEAM is separate process executed from a Python script to calculate energies, etc, and the Python script is invoked by MATLAB. MATLAB functions carry out user-selected calculations for single elements, binaries, and ternaries. MATLAB gateway functions (mexfunctions) execute LAMMPS library functions listed in src/library.h of the LAMMPS distribution. In MPCv4 (MEAM Parameter Calibration, ver.4), LAMMPS+MEAM is executed as a library inside the MATLAB workspace, not as an external process. 13 Build LAMMPS+MEAM for MPC on MacOSX (Yosemite). ![]()
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |