The Atomic Simulation Environment (ASE) is the common part of the simulation tools developped at CAMD. The ASE provides modules for moving atoms, analyzing simulations etc. The ASE is not able to calculate energies or forces on the atoms, for this task it relies on a number of Calculators. A calculator may do a complete quantum-mechanical calculation, or may use simpler (semi-)empirical potential.

Warning due to the unmaintained Numeric package, ASE2 does not work on 64-bit systems with python version > 2.4. If this is you case consider using the new ASE version 3 package.

Please see the list of calculators that ASE can collaborate with.

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ASE version 3

A "new" ASE is under development. The documentation of this ASE-3 is elsewhere: https://wiki.fysik.dtu.dk/ase.