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Update example
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GardevoirX committed Jan 19, 2025
1 parent b97e0b3 commit 0d335c7
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions examples/10-tuning.py
Original file line number Diff line number Diff line change
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import vesin.torch as vesin

import torchpme
from torchpme.tuning.error_bounds import PMEErrorBounds
from torchpme.tuning.pme import PMEErrorBounds
from torchpme.tuning.tuner import TuningTimings

DTYPE = torch.float64
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# %%

EB = torchpme.tuning.error_bounds.PMEErrorBounds((charges**2).sum(), cell, positions)
EB = torchpme.tuning.pme.PMEErrorBounds((charges**2).sum(), cell, positions)

# %%
v, t = timed_madelung(cutoff=5, smearing=1, mesh_spacing=1, interpolation_nodes=4)
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