The CAMD Open Software project (CAMPOS) is a collection of programs for atomic-scale simulations. The programs all have Python interfaces, and share the tools in the “Atomic Simulation Environment”. Python gives a simple and yet flexible interface to the codes: scripts for simple calculations look almost like traditional input files, but all the power of a modern programming language is available to the advanced user.
The programs are all released under the GNU General Public License and people are invited to participate in using and developing the code.
Atomic Simulation Environment
ASE is a Python package providing an Atomic Simulation Environment in the python language. There are modules for: building atomic structures, molecular dynamics, structure optimization, analysis and more.
DACAPO is an ab initio molecular dynamics code, based on ultra-soft pseudopotentials.
Asap is an Effective Medium Theory code for doing atomistic simulations of systems containing up to millions of atoms.
The GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method. It uses real-space uniform grids and multigrid methods.