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Merge branch 'main' of github.com:FrederikLizakJohansen/DebyeCalculat…
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…orGPU into main
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FrederikLizakJohansen committed Sep 21, 2023
2 parents 5da5fbb + 8cd2153 commit 35139c0
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Showing 3 changed files with 9,662 additions and 9,359 deletions.
2 changes: 1 addition & 1 deletion DebyeCalculator/debye_calculator.py
Original file line number Diff line number Diff line change
Expand Up @@ -63,7 +63,7 @@ def __init__(
rstep: float = 0.01,
rthres: float = 0.0,
biso: float = 0.3,
device: str = 'cpu',
device: str = 'cuda' if torch.cuda.is_available() else 'cpu',
batch_size: Union[int, None] = 10000,
lorch_mod: bool = False,
radiation_type: str = 'xray',
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19,019 changes: 9,661 additions & 9,358 deletions InteractiveMode_Colab.ipynb

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