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docs: replace stale OP and workflow support checklist - #404

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docs: replace stale OP and workflow support checklist#404
njzjz-bot wants to merge 1 commit into
deepmodeling:masterfrom
njzjz-bot:docs/issue-64-supported-features

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Fixes #64

Summary:

  • replace the stale statement that DPGEN2 supports only DeePMD-kit, LAMMPS, and VASP
  • add a source-linked matrix for workflows, training modes, exploration engines, selection behavior, and labeling backends
  • document CALYPSO, DiffCSP, Gaussian, CP2K, ABACUS, DeepMD labeling, template and PLUMED support, distillation, multitask training, and finetuning
  • identify simplify, init-data generation, Gromacs, AMBER, complete cluster extraction, and Siesta as focused remaining gaps
  • add tests that keep registered FP backends and local documentation links represented

Tests:

  • pytest -q tests/test_feature_matrix.py tests/test_check_examples.py
  • 3 passed, 10 subtests passed

Coding agent: Codex
Codex version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

@dosubot dosubot Bot added size:M This PR changes 30-99 lines, ignoring generated files. documentation Improvements or additions to documentation labels Aug 23, 2026
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coderabbitai Bot commented Aug 23, 2026

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Reviewing files that changed from the base of the PR and between 6b01f29 and f7928f5.

📒 Files selected for processing (5)
  • README.md
  • docs/developer.md
  • docs/features.md
  • docs/index.rst
  • tests/test_feature_matrix.py

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@codecov

codecov Bot commented Aug 23, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.43%. Comparing base (6b01f29) to head (f7928f5).

Additional details and impacted files
@@           Coverage Diff           @@
##           master     #404   +/-   ##
=======================================
  Coverage   84.43%   84.43%           
=======================================
  Files         104      104           
  Lines        6110     6110           
=======================================
  Hits         5159     5159           
  Misses        951      951           

☔ View full report in Codecov by Harness.
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  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

Coding-Agent: Codex
Codex-Version: codex-cli 0.149.1
Model: gpt-5.6-sol
Reasoning-Effort: xhigh
@njzjz-bot
njzjz-bot force-pushed the docs/issue-64-supported-features branch from c588f21 to f7928f5 Compare August 26, 2026 11:00
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implement more OPs and workflows

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