WARNING: Please use the new ASE version 3 package, unless you have a very good reason for using the old ASE version 2.

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.

OLD ASE version 2

ASE version 2 is no longer being maintained. Please use the new ASE version 3 package, unless you have a very good reason for using the old ASE version 2.

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.

Get Started with ASE2

ase2: ase2 (last edited 2010-11-13 00:19:30 by OleHolmNielsen)