ASE¶
Description¶
ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language.
From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations in C of functions in ASE. ASE uses it automatically when installed.
More information¶
- Homepage: https://wiki.fysik.dtu.dk/ase
Included extensions¶
ase-3.22.1, ase-ext-20.9.0, pytest-mock-3.6.1
Availability¶
| Module | NIC5 | Hercules2 | Dragon2 | Lemaitre3 | Dragon1 |
|---|---|---|---|---|---|
| ASE/3.20.1-foss-2019b-Python-3.7.4 | ✓ | ||||
| ASE/3.21.1-foss-2020b | ✓ | ||||
| ASE/3.22.0-foss-2020b | ✓ | ✓ | |||
| ASE/3.22.1-foss-2021b | ✓ | ||||
| ASE/3.22.1-foss-2022a | ✓ | ||||
| ASE/3.22.1-intel-2021b | ✓ |