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
Install it by simply using pip:
python3 -m pip install [--user] imd-cookie-cutter
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