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updating approach to path to work with ipython
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brookwander committed Jul 18, 2024
1 parent 5743a59 commit 0cbf4ad
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Showing 2 changed files with 4 additions and 3 deletions.
3 changes: 2 additions & 1 deletion docs/_toc.yml
Original file line number Diff line number Diff line change
Expand Up @@ -43,7 +43,8 @@ parts:
- file: tutorials/intro
- file: tutorials/OCP-introduction
- file: tutorials/adsorbml_walkthrough
- file: tutorials/cattsunami_walkthrough
- file: tutorials/cattsunami_tutorial
- file: tutorials/fairchem_models_for_nebs
- file: tutorials/NRR/NRR_toc
sections:
- file: tutorials/NRR/NRR_example
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4 changes: 2 additions & 2 deletions docs/tutorials/fairchem_models_for_nebs.md
Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,6 @@ from fairchem.core.models.model_registry import model_name_to_local_file
#Optional
from x3dase.x3d import X3D
import matplotlib.pyplot as plt
from pathlib import Path
import os
```

Expand All @@ -51,7 +50,8 @@ Load your frames (change to the appropriate loading method)
The approach uses ase, so you must provide a list of ase.Atoms objects
with the appropriate constraints.
"""
path_ = Path(__file__).parents[2]
cwd = os.getcwd()
path_ = os.path.abspath(os.path.join(cwd, os.pardir, os.pardir))
path_ = os.path.join(path_, "src", "fairchem", "applications", "cattsunami", "tutorial", "sample_traj.traj")
frame_set = read(path_, ":")[0:10] # Change to the path to your atoms of the frame set
```
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