FLAME – A Library of Atomistic Modeling Environments

Finally here! The flame code is now available for download here, free of charge!

FLAME is a highly modular open source software package to perform atomistic simulations using a wide variety of techniques. A selection of its features is listed below:

• Molecular dynamics with various constraints and boundary conditions
• Structure prediction for molecules, crystals, interfaces, and more
• Double and single ended saddle-point searches
• Training and application of neural network potentials
• Includes a variaty of interatomic potentials
• Interfaced with various external DFT and MM codes, including QuantumEspresso, Abinit, BigDFT, Lammps, Tinker, Gulp, etc.