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
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Close
Hashes for imd_cookie_cutter-1.0.0-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | e816a5e8e2b4bfc4e3ec2987d3b4de7a9f1b42be841503de3ee0777beb17a428 |
|
MD5 | 463fa9d0d3512d75b50db9efc97c829c |
|
BLAKE2b-256 | 63592a3cc127bc8a41eede28d171c98b025285c8875526df29d5cabb0fc5a960 |