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Export models #34

Merged
merged 41 commits into from
Feb 2, 2024
Merged

Export models #34

merged 41 commits into from
Feb 2, 2024

Commits on Jan 4, 2024

  1. Add gradient calculator

    @frostedoyster
    frostedoyster committed Jan 4, 2024
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  2. Fix linter

    @frostedoyster
    frostedoyster committed Jan 4, 2024
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Commits on Jan 11, 2024

  1. Loss draft

    @frostedoyster
    frostedoyster committed Jan 11, 2024
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  2. Add tests for losses

    @frostedoyster
    frostedoyster committed Jan 11, 2024
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  3. Wrap forces and stresses

    @frostedoyster
    frostedoyster committed Jan 11, 2024
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  4. Clarify cell convention

    @frostedoyster
    frostedoyster committed Jan 11, 2024
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  5. Merge branch 'main' into forces-virials

    @frostedoyster
    frostedoyster committed Jan 11, 2024
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  6. Support multiple model outputs, use new loss

    @frostedoyster
    frostedoyster committed Jan 11, 2024
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  7. Fix composition calculator

    @frostedoyster
    frostedoyster committed Jan 11, 2024
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Commits on Jan 12, 2024

  1. Address review

    @frostedoyster
    frostedoyster committed Jan 12, 2024
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  2. Partial draft

    @frostedoyster
    frostedoyster committed Jan 12, 2024
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  3. Finished trainer

    @frostedoyster
    frostedoyster committed Jan 12, 2024
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  4. Make linter happy

    @frostedoyster
    frostedoyster committed Jan 12, 2024
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  5. Fix small merge issue

    @frostedoyster
    frostedoyster committed Jan 12, 2024
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Commits on Jan 13, 2024

  1. Merge branch 'main' into finalize-training

    @frostedoyster
    frostedoyster authored Jan 13, 2024
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Commits on Jan 16, 2024

  1. Add new functions to the documentation

    @frostedoyster
    frostedoyster committed Jan 16, 2024
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Commits on Jan 19, 2024

  1. Add tutorial how to override arch params

    @PicoCentauri
    PicoCentauri committed Jan 19, 2024
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  2. Adapt to most recent parser changes

    @frostedoyster
    frostedoyster committed Jan 19, 2024
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  3. Train with actual train/validation splits

    @frostedoyster
    frostedoyster committed Jan 19, 2024
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  4. Fix some small issues

    @frostedoyster
    frostedoyster committed Jan 19, 2024
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  5. Fix docs build?

    @frostedoyster
    frostedoyster committed Jan 19, 2024
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Commits on Jan 20, 2024

  1. Merge branch 'arch_override_docs' into finalize-training

    @frostedoyster
    frostedoyster authored Jan 20, 2024
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  2. Attempt to export

    @frostedoyster
    frostedoyster committed Jan 20, 2024
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Commits on Jan 23, 2024

  1. Address reviewer comments

    @frostedoyster
    frostedoyster committed Jan 23, 2024
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  2. Merge branch 'main' into finalize-training

    @frostedoyster
    frostedoyster authored Jan 23, 2024
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  3. Merge branch 'finalize-training' into export

    @frostedoyster
    frostedoyster authored Jan 23, 2024
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Commits on Jan 26, 2024

  1. Make SOAP-BPNN model saveable

    @frostedoyster
    frostedoyster committed Jan 26, 2024
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  2. Hack better

    @frostedoyster
    frostedoyster committed Jan 26, 2024
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  3. Update MANIFEST.in

    @frostedoyster
    frostedoyster committed Jan 26, 2024
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  4. Update tests and docs

    @frostedoyster
    frostedoyster committed Jan 26, 2024
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  5. Add some comments on the hacks

    @frostedoyster
    frostedoyster committed Jan 26, 2024
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  6. Fix usage.sh?

    @frostedoyster
    frostedoyster committed Jan 26, 2024
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  7. Merge branch 'main' into export

    @frostedoyster
    frostedoyster authored Jan 26, 2024
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  8. Fix merge bug

    @frostedoyster
    frostedoyster committed Jan 26, 2024
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Commits on Feb 1, 2024

  1. Merge branch 'main' into export

    @frostedoyster
    frostedoyster committed Feb 1, 2024
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  2. Address first comments

    @frostedoyster
    frostedoyster committed Feb 1, 2024
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  3. Fix missing default

    @frostedoyster
    frostedoyster committed Feb 1, 2024
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  4. Linter betrayal

    @frostedoyster
    frostedoyster committed Feb 1, 2024
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Commits on Feb 2, 2024

  1. Warn about missing units when exporting

    @frostedoyster
    frostedoyster committed Feb 2, 2024
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  2. some minor renaming

    @PicoCentauri
    PicoCentauri committed Feb 2, 2024
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  3. Add test for no unit warning

    @PicoCentauri
    PicoCentauri committed Feb 2, 2024
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