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frostedoyster merged 1 commit into from
Feb 24, 2026
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Wrongly indented code blocks in the lammps documentation #35

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12 changes: 6 additions & 6 deletions docs/lammps.md
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Expand Up @@ -8,7 +8,7 @@ Running in LAMMPS is supported starting from FlashMD 0.2.5. Make sure you have a
updated version:

```bash
pip install flashmd --upgrade
pip install flashmd --upgrade
```

Next, you will need to install a version of LAMMPS with FlashMD enabled. Here, we focus
Expand Down Expand Up @@ -47,12 +47,12 @@ LAMMPS will need the FlashMD model and, in some cases, the energy model (MLIP) i
trained on. Here is how you can get them in the current directory from Python:

```py
from flashmd import get_pretrained
from flashmd import get_pretrained

time_step = 16 # 16 fs, also available: 1, 2, 4, 8, 32, 64, 128 fs
energy_model, flashmd_model = get_pretrained("pet-omatpes-v2", time_step)
energy_model.save("mlip.pt")
flashmd_model.save(f"flashmd-{time_step}.pt")
time_step = 16 # 16 fs, also available: 1, 2, 4, 8, 32, 64, 128 fs
energy_model, flashmd_model = get_pretrained("pet-omatpes-v2", time_step)
energy_model.save("mlip.pt")
flashmd_model.save(f"flashmd-{time_step}.pt")
```

**Note:** Stick to no more than 30x the time step that you would use in normal MD for your system!
Expand Down