SplinePotential device compatibility #138
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…sses on different devices.
PicoCentauri
reviewed
Jan 8, 2025
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Thanks @E-Rum. I left some cosmetic comments and a question.
tests/test_potentials.py
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| smearing = 1.0 | ||
| exponent = 1.0 | ||
| dtype = torch.float64 |
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Maybe also parametrize over the dtype?
src/torchpme/potentials/spline.py
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| @@ -108,12 +115,16 @@ def __init__( | |||
| self._krn_spline = CubicSpline(k_grid**2, yhat_grid) | |||
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| if y_at_zero is None: | |||
| self._y_at_zero = self._spline(torch.tensor([0.0])) | |||
| self._y_at_zero = self._spline( | |||
| torch.tensor([0.0], dtype=dtype, device=device) | |||
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Does not really matter, but looks cleaner to me. Feel free to ignore.
Suggested change
| torch.tensor([0.0], dtype=dtype, device=device) | |
| torch.zeros(1), dtype=dtype, device=device) |
src/torchpme/potentials/spline.py
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| else: | ||
| self._y_at_zero = y_at_zero | ||
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| if yhat_at_zero is None: | ||
| self._yhat_at_zero = self._krn_spline(torch.tensor([0.0])) | ||
| self._yhat_at_zero = self._krn_spline( | ||
| torch.tensor([0.0], dtype=dtype, device=device) |
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Suggested change
| torch.tensor([0.0], dtype=dtype, device=device) | |
| torch.zeros(1, dtype=dtype, device=device) |
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And could you update |
Co-authored-by: Philip Loche <philip.loche@posteo.de>
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Okay, I resolved the comments left by @PicoCentauri. If everything is alright and we decide to address the remaining issues in the next PR, we can proceed with the merge. |
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This PR addresses issue #137. It fixes the compatibility of the SplinePotential class with GPU. Additionally, it adds a new test to verify the compatibility between the Potential class and the output device.
📚 Documentation preview 📚: https://torch-pme--138.org.readthedocs.build/en/138/