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formatted file section of example code simulation.md
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nh916 committed Sep 26, 2023
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31 changes: 27 additions & 4 deletions docs/examples/simulation.md
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Expand Up @@ -250,10 +250,33 @@ experiment.computation += [init, equilibration, bulk, ana]
New we'd like to upload files associated with our simulation. First, we'll instantiate our File nodes under a specific project.

```python
packing_file = cript.File(name="Initial simulation box snapshot with roughly packed molecules", type="computation_snapshot", source="path/to/local/file", extension=".csv")
forcefield_file = cript.File(name="Forcefield definition file", type="data", source="path/to/local/file", extension=".pdf")
snap_file = cript.File(name="Bulk measurement initial system snap shot", type="computation_snapshot", source="path/to/local/file", extension=".png")
final_file = cript.File(name="Final snapshot of the system at the end the simulations", type="computation_snapshot", source="path/to/local/file", extension=".jpeg")
packing_file = cript.File(
name="Initial simulation box snapshot with roughly packed molecules",
type="computation_snapshot",
source="path/to/local/file",
extension=".csv",
)

forcefield_file = cript.File(
name="Forcefield definition file",
type="data",
source="path/to/local/file",
extension=".pdf",
)

snap_file = cript.File(
name="Bulk measurement initial system snap shot",
type="computation_snapshot",
source="path/to/local/file",
extension=".png",
)

final_file = cript.File(
name="Final snapshot of the system at the end the simulations",
type="computation_snapshot",
source="path/to/local/file",
extension=".jpeg",
)
```

!!! note
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