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ComponentModeler.batch_data and pathdir enhancements #1932

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merged 1 commit into from
Sep 11, 2024

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tylerflex
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messed up rebase of #1918 so made a new PR

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@dmarek-flex dmarek-flex left a comment

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Thanks, I think this will be much more convenient!

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Thanks @dmarek-flex . made the changes

@tylerflex tylerflex force-pushed the tyler/smatrix/batch_data2 branch from fc5a233 to 48027ef Compare September 11, 2024 05:46

### Changed
- Priority is given to `snapping_points` in `GridSpec` when close to structure boundaries, which reduces the chance of them being skipped.
- Gradients for autograd are computed server-side by default. They can be computed locally (requiring more data download) by passing `local_gradient=True` to the `web.run()` and related functions.
- Passing `path_dir` to `ComponentModeler` methods is deprecated in favor of setting `ComponentModeler.path_dir` and will result in an error if the two don't match.
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I don't exactly understand, do you mean pass path_dir when initializing ComponentModeler?

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ok: ComponentModeler(..., path_dir=actual_path_dir)
will warn: ComponentModeler.run(path_dir=different_path_dir)

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and will use actual_path_dir:

ComponentModeler.run()

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Ok, yeah, that's what I thought.

@tylerflex tylerflex merged commit 3b3aa92 into pre/2.8 Sep 11, 2024
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@tylerflex tylerflex deleted the tyler/smatrix/batch_data2 branch September 11, 2024 08:00
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3 participants