Quasicontinuum Code Overview

The Quasicontinuum (QC) code is an implementation of the QC method for simple lattice crystals at zero temperature. The QC code has the following features:
  • Macro programming language that allows the user to custom design a simulation algorithm
  • Adaptive meshing
  • Conjugate Gradient (CG) and Newton-Raphson (NR) solvers
  • Plot generation in Tecplot format

The QC code is written in Fortran 90 and is self-contained. It has been run under Unix/Linux, Apple OS X and Microsoft Windows XP using the following compilers:

  • Absoft Fortran 90/95 Compiler
  • GNU Fortran (gfortran) Compiler
  • G95 Fortran Compiler
  • IBM XL Fortran Compiler
  • Intel Fortran Compiler
  • NAGWare Fortran 95 compiler
  • PathScale Compiler Suite
  • Portland Group Inc. PGF95 Fortran 90/95 Compiler
  • Silicon Graphics MIPSpro Fortran 90
  • Sun Forte Developer Fortran 95

A convenient makefile architecture is supplied making it easy to compile and run the code on Unix/Linux/OS X platforms. Porting to Windows machines should be straightforward but is not supported. See the QC Tutorial Guide for information on making and running the code.

The QC code was written primarily by

  • Ron Miller, Carleton University
  • David Rodney, Institut National Polytechnique de Grenoble
  • Vijay Shenoy, Indian Institute of Science, Bangalore
  • Ellad Tadmor, University of Minnesota

The QC program includes code from the following open-source packages:

  • ParaDyn (DYNAMO), Molecular Dynamics program written by Stephen Foiles and Murray Daw at Sandia National Laboratories.
  • CONTRI, Constrained Delaunay triangulation routine written by Scott Sloan at the University of Newcastle.
  • FEAP, Finite Element Analysis Program which appears in the back of the book "The Finite Element Method" by O.C. Zienkiewicz.