This repository contains the source code for LiCROM. Currently, it only includes the fundamental parts of the implementation without detailed documentation and has been tested solely on my laptop. A more organized and thoroughly tested version will be forthcoming in this repository.
The data_generation folder includes the code for generating training data, with snapshots being stored in data_generation/output/
cd data_generation
python main_Holes.py
After obtaining the data, the next step involves converting positions to displacements.
cd ..
cd misc
python pos_disp.py -type p2d -d [data directory] Please refer to README.md in training folder.
The online folder includes the code for running reduced space dynamics with pre-trained model.
python main_Holes.py