Program of Dynamic Lattice Searching for Cluster Optimization


It's a first/simple version, and if you want a more recent version, please contact me.

Note: Program is written in C and the compiler is gcc. More information, please see the readme file.


Click here for the zipped TAR files.

References:

[1] X.G. Shao, L.J. Cheng, W.S. Cai, A dynamic lattice searching method for fast optimization of Lennard-Jones clusters. Journal of Computational Chemistry, 25, 1693-1698 (2004)


[2] L.J. Cheng, W.S. Cai, X.G. Shao, Geometry optimization and Conformational analysis of (C60)N clusters using a dynamic lattice searching method. ChemPhysChem 6, 261-266 (2005).