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Problem
Some users need canonical project style that may reorder presentation or collapse duplicate definitions, but this must
be explicit.
Scope
- Add abacus-fmt --normalize.
- Group INPUT keywords ...
formatter
roadmap
newtontech
Problem
Formatting should improve readability without changing ABACUS semantics.
Scope
- Preserve parameter and section order.
- Preserve comments.
- Preserve duplicate parameters while warning ...
formatter
roadmap
Problem
ABACUS inputs can be syntactically valid while still encoding likely workflow mistakes.
Scope
- Add non-blocking checks for suspicious scf_thr, relax/cell-relax output settings, spin-orbit/noncollinear ...
linter
roadmap
Problem
Many ABACUS failures come from relationships between INPUT, STRU, KPT, and referenced files, not from a single file in
isolation.
Scope
- Check stru_file and kpoint_file existence.
- Check ...
linter
roadmap
Problem
Users and agents need immediate deterministic feedback for syntax mistakes and schema mismatches.
Scope
- Implement diagnostics for missing INPUT_PARAMETERS, unknown keywords, invalid value ...
linter
roadmap
schema
Problem
K-point files have multiple modes and count conventions that should be validated consistently.
Scope
- Accept K_POINTS, KPOINTS, or K.
- Parse automatic mesh, explicit Direct / Cartesian, ...
parser
roadmap
What
Extend the LLMProvider port (backend/app/ports/llm.py) so callers can express caching, structured-output, and per-call
token intent — without leaking SDK types into ports//domain/.
Why
Today the ...
area:agent
ready
jieyao-MilestoneHub
Problem
STRU is section-based and includes nested ATOMIC_POSITIONS element blocks that require a state machine rather than
simple key-value parsing.
Scope
- Parse ATOMIC_SPECIES, NUMERICAL_ORBITAL, ...
parser
roadmap
Problem
INPUT needs a parser that preserves enough source information for diagnostics, formatting, code actions, and agent
output.
Scope
- Recognize INPUT_PARAMETERS.
- Ignore preamble before the ...
parser
roadmap
Problem
Parser, formatter, linter, LSP, and test-runner behavior needs stable fixtures before feature work scales.
Scope
- Add official or minimal MgO, Si, and H2O-style cases.
- Cover INPUT, STRU, ...
fixtures
roadmap
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Learn how you can use GitHub Issues to plan and track your work.
Save views for sprints, backlogs, teams, or releases. Rank, sort, and filter issues to suit the occasion. The possibilities are endless.Learn more about GitHub IssuesProTip! Restrict your search to the title by using the in:title qualifier.