3. atom: Atomic Clusters Using Force Fields

atom (which was called atom-optimizer in old versions of ABCluster) supports the global optimization of a number of model potentials. These model potentials can be evaluated very fast and sometimes can be used to generate clusters of special properties.

---

Contents:

• 3.1. Supported Model Force Fields
• 3.2. Example: 38 Lennard-Jones Particles
• 3.3. Build atom Input
• 3.4. Example: (MgO)20
• 3.5. Example: Silver and Copper Clusters
  • 3.5.1. Ag38 and Cu38
  • 3.5.2. Ag32Cu6
• 3.6. Example: (CaTiO3)5
• 3.7. Example: C16 and Ge16