├── Car-Parrinello.ipynb ├── Car-Parrinello.py ├── LICENSE ├── README.md ├── apt.txt ├── dft.ipynb ├── dft.py ├── environment.yml ├── hartree-fock.ipynb ├── hartree-fock.py ├── setup.cfg └── tox.ini /Car-Parrinello.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/Car-Parrinello.ipynb -------------------------------------------------------------------------------- /Car-Parrinello.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/Car-Parrinello.py -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/README.md -------------------------------------------------------------------------------- /apt.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/apt.txt -------------------------------------------------------------------------------- /dft.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/dft.ipynb -------------------------------------------------------------------------------- /dft.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/dft.py -------------------------------------------------------------------------------- /environment.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/environment.yml -------------------------------------------------------------------------------- /hartree-fock.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/hartree-fock.ipynb -------------------------------------------------------------------------------- /hartree-fock.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/hartree-fock.py -------------------------------------------------------------------------------- /setup.cfg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/setup.cfg -------------------------------------------------------------------------------- /tox.ini: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aromanro/PythonCompphys/HEAD/tox.ini --------------------------------------------------------------------------------