├── .gitignore ├── LICENSE ├── README.md ├── data ├── azaphenacene.xyz ├── iron-snapshot.xyz └── water_energy-dipole.xyz ├── lecture-1.ipynb ├── lecture-2.ipynb ├── requirements.txt ├── slides ├── lecture-0.pdf └── lecture-1.pdf └── utils.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/README.md -------------------------------------------------------------------------------- /data/azaphenacene.xyz: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/data/azaphenacene.xyz -------------------------------------------------------------------------------- /data/iron-snapshot.xyz: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/data/iron-snapshot.xyz -------------------------------------------------------------------------------- /data/water_energy-dipole.xyz: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/data/water_energy-dipole.xyz -------------------------------------------------------------------------------- /lecture-1.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/lecture-1.ipynb -------------------------------------------------------------------------------- /lecture-2.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/lecture-2.ipynb -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/requirements.txt -------------------------------------------------------------------------------- /slides/lecture-0.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/slides/lecture-0.pdf -------------------------------------------------------------------------------- /slides/lecture-1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/slides/lecture-1.pdf -------------------------------------------------------------------------------- /utils.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ceriottm/ale-notebooks/HEAD/utils.py --------------------------------------------------------------------------------