Information

Official site

http://clupan.sourceforge.net/

License

GPL v2

Availability

Confirmed compilation environment:
g++ 4.2.1 + boost v1.44.0
g++ 4.4.3 + boost v1.40.0
intel compiler 11.1 + boost v1.40.0

Confirmed compilation environment for multithreaded calculation (Compatible with multithreaded calculation using OPENMP):
g++ 4.4.3 + boost v1.40.0 + Intel TBB v2.2
intel compiler 11.1 + boost v1.40.0 + Intel TBB v2.2

Core Developers

Atsuto Seko (Graduate School of Enginnering, Kyoto University)

Target substance/model

Atsuto Seko (Graduate School of Enginnering, Kyoto University)

Physical quantities that can be computed

Ground state structure, thermodynamic quantity, and equilibrium state diagram

Methodology

Thermodynamic calculation using cluster expansion method

Parallelization

Parallel computing by OpenMP is supported.

Related App
Document

A. Seko, Y. Koyama and I. Tanaka, Phys. Rev. B 80, 165122 (2009).