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Update README.MD
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comecattin authored Mar 12, 2024
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Expand Up @@ -45,3 +45,4 @@ JAX-MD uses `.yaml` file as input. This file contains the parameters used during
- `display_animation` : Display a 2D projection of the simulation.
- `printing_step` : Print the system energy every nth step.
- `writing_step` : Write the system coordinates into a trajectory file every nth step.
- `center` : Center the molecule in the PBC box

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