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Name | Version: Default (Others) | Description |
|---|---|---|
SIESTA | 3.1 (also 4.0) | A method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. |
CPMD | 3.15.1 | Car-Parrinello Molecular Dynamics: An ab initio Electronic Structure and Molecular Dynamics Program |
DL_POLY | 2.20 | a general purpose classical molecular dynamics (MD) simulation software developed at Daresbury Laboratory |
LAMMPS | 22Feb13 | a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. |
VASP | 5.4.4_INTEL 5.3_INTEL | The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. |
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