Welcome to janus-core’s documentation!¶
janus-core provides tools to perform and analyse calculations using machine learnt interatomic potentials (MLIPs),
as well as facilitating training and fine-tuning of MLIPs.
Contents:
- User guide
- Tutorials
- Example configurations
- Developer guide
- API documentation
- Module contents
- Submodules
- janus_core.calculations.base module
- janus_core.calculations.descriptors module
- janus_core.calculations.eos module
- janus_core.calculations.geom_opt module
- janus_core.calculations.md module
- janus_core.calculations.neb module
- janus_core.calculations.phonons module
- janus_core.calculations.single_point module
- janus_core.cli.descriptors module
- janus_core.cli.eos module
- janus_core.cli.geomopt module
- janus_core.cli.janus module
- janus_core.cli.md module
- janus_core.cli.neb module
- janus_core.cli.phonons module
- janus_core.cli.preprocess module
- janus_core.cli.singlepoint module
- janus_core.cli.train module
- janus_core.cli.types module
- janus_core.cli.utils module
- janus_core.helpers.janus_types module
- janus_core.helpers.log module
- janus_core.helpers.mlip_calculators module
- janus_core.helpers.utils module
- janus_core.helpers.stats
- janus_core.helpers.struct_io
- janus_core.processing.correlator module
- janus_core.processing.observables module
- janus_core.processing.post_process module
- janus_core.processing.symmetry module
- janus_core.training.preprocess module
- janus_core.training.train module
janus-core is released under the BSD 3-Clause license.
Funding¶
Contributors to janus-core were supported by
