Add doc for spin data format #3762
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WalkthroughWalkthroughThe documentation update provides a comprehensive overview of the changes made to the data formats in TensorFlow and PyTorch/DP backends. It clarifies the distinctions between the two formats and offers a detailed explanation of the structure and content of the relevant data files for each backend, aiding users in understanding the requirements for effective model training. Changes
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Actionable comments posted: 3
Out of diff range and nitpick comments (3)
doc/model/train-energy-spin.md (3)
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24-24: Consider revising the phrase "each type of atoms" to "each type of atom" for grammatical correctness.
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49-49: Consider adding a comma after "flexible" for better readability and grammatical correctness.
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96-104: Replace hard tabs with spaces in the JSON examples to maintain consistency and improve readability in markdown files.
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Actionable comments posted: 1
Out of diff range and nitpick comments (3)
doc/model/train-energy-spin.md (3)
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24-24: Correct grammatical agreement in the description.- type of atoms + types of atoms
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49-49: Consider adding a comma for clarity in the list of descriptors.- flexible and so far supports + flexible, and so far supports
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96-104: Replace hard tabs with spaces in JSON blocks for consistent formatting.- "type": "ener_spin", - "start_pref_e": 0.02, - "limit_pref_e": 1, - "start_pref_fr": 1000, - "limit_pref_fr": 1.0, - "start_pref_fm": 10000, - "limit_pref_fm": 10.0, - "start_pref_v": 0, - "limit_pref_v": 0, + "type": "ener_spin", + "start_pref_e": 0.02, + "limit_pref_e": 1, + "start_pref_fr": 1000, + "limit_pref_fr": 1.0, + "start_pref_fm": 10000, + "limit_pref_fm": 10.0, + "start_pref_v": 0, + "limit_pref_v": 0,
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #3762 +/- ##
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Coverage 82.25% 82.25%
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Files 513 513
Lines 47666 47666
Branches 2981 2981
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Hits 39207 39207
Misses 7548 7548
Partials 911 911 ☔ View full report in Codecov by Sentry. |
<!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Documentation** - Updated documentation to clarify data format differences and detailed file structures for TensorFlow and PyTorch/DP backends. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Summary by CodeRabbit