Loading README.md +6 −4 Original line number Diff line number Diff line # vdW_structures ## Overview `vdW_structures` is a Python package that facilitates the modification of van der Waals (vdW) layered materials built on `pymatgen`. `vdW_structures` is a Python package built on `ase` and `pymatgen` that facilitates the construction of van der Waals (vdW) layered materials. ## Features - Allows the user to extract and recombine individual layers of vdW materials - Improves `pymatgen`'s CoherentInterfaceBuilder() handling of vdW heterostructure construction - Supports common vdW structural transformations (e.g., x, y and z-direction shifts of individual layers) - Allows the user to extract and recombine individual layers of vdW materials. - Improves `pymatgen`'s CoherentInterfaceBuilder() handling of vdW heterostructure construction. - Supports common vdW structural transformations (e.g., x, y and z-direction shifts of individual layers). ## Installation You can install `vdW_structures` using pip: ```bash pip install git+https://github.com/yourusername/vdW_structures.git ``` Alternatively, if you're developing the package, clone the repository and install it in editable mode. Loading @@ -20,6 +21,7 @@ Alternatively, if you're developing the package, clone the repository and instal git clone https://github.com/yourusername/vdW_structures.git cd vdW_structures pip install -e . ``` ## License This project is licensed under the MIT License. Loading Loading
README.md +6 −4 Original line number Diff line number Diff line # vdW_structures ## Overview `vdW_structures` is a Python package that facilitates the modification of van der Waals (vdW) layered materials built on `pymatgen`. `vdW_structures` is a Python package built on `ase` and `pymatgen` that facilitates the construction of van der Waals (vdW) layered materials. ## Features - Allows the user to extract and recombine individual layers of vdW materials - Improves `pymatgen`'s CoherentInterfaceBuilder() handling of vdW heterostructure construction - Supports common vdW structural transformations (e.g., x, y and z-direction shifts of individual layers) - Allows the user to extract and recombine individual layers of vdW materials. - Improves `pymatgen`'s CoherentInterfaceBuilder() handling of vdW heterostructure construction. - Supports common vdW structural transformations (e.g., x, y and z-direction shifts of individual layers). ## Installation You can install `vdW_structures` using pip: ```bash pip install git+https://github.com/yourusername/vdW_structures.git ``` Alternatively, if you're developing the package, clone the repository and install it in editable mode. Loading @@ -20,6 +21,7 @@ Alternatively, if you're developing the package, clone the repository and instal git clone https://github.com/yourusername/vdW_structures.git cd vdW_structures pip install -e . ``` ## License This project is licensed under the MIT License. Loading