Tests:
All examples:
A series of tutorials with documentation, to demonstrate different applications of ASE, mainly using the EMT code or GPAW:
| Name | Code | MyBinder |
|---|---|---|
| Atomization | EMT |  |
| Equation of State | EMT | |
| Lattice Constant | GPAW | |
| Diffusion | EMT | |
| Surface | EMT | |
| Minima Hopping | EMT | |
| Genetic Optimize | EMT | |
| Genetic Algo FCC | EMT | |
| Dissociation | EMT | |
| Water | EMT | |
| Acetonitrile | EMT | |
| Wannier | GPAW | |
Example interfaces to a wide range of codes, still most examples just discuss how to calculate energies.
| Name | Code | MyBinder |
|---|---|---|
| Energy | CP2K | |
| Energy | GPAW | |
| Bandstructure | GPAW | |
| Energy | LAMMPS | |
| Energy | Openkim | |
| Energy | Quantum Espresso | |
| Energy | Siesta | |