A tool for removing atoms in IMD config files, just like a cookie cutter in higher dimensions.
Project description
IMD Cookie Cutter
A tool for removing atoms in IMD config files, just like a cookie cutter in higher dimensions.
Features
- Multiprocessed (not implemented yet)
- Without external dependencies
- Optimized for IMD *.chkpt files
- Works in 2D and 3D (theoretically unlimited dimensions supported)
- Flexible slicing setup for your atom configuration by simply overriding a class
- Possibility to modify the atom data (coordinates, velocity, type, etc.) individually
Installation
IMD Cookie Cutter is uploaded to the Python Package Index (PyPI). This makes it easy installing it via pip:
python3 -m pip install [--user] imd-cookie-cutter
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