Code Name | Field | Owner | Access | OS | Source? | Github? |
|---|---|---|---|---|---|---|
Quantum Espresso | Atomistics / DFT |
| Free | Linux |
| |
VASP | Atomistics / DFT | PSU | NSE (Ballinger) | Linux | X |
|
GULP | Molecular Dynamics |
|
|
|
|
|
LAMMPS | Molecular Dynamics | Sandia | Sandia | All |
| X |
Moldy | Molecular Dynamics |
|
|
|
|
|
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