3 Commits

Author SHA1 Message Date
a20823f2d4 refactor: Clean up code formatting and improve readability
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- Standardize spacing and formatting in various files for consistency
- Remove unnecessary blank lines and adjust line breaks for better readability
- Ensure consistent use of comments and code structure across the project
2026-03-08 16:22:29 +09:00
e6039d7b77 refactor: simul-io wraps external crates
- Use pdbtbx for PDB/mmCIF parsing (re-exported)
- Keep custom XYZ reader/writer (simple format)
- Add PdbTrajectoryWriter for multi-MODEL output
- Remove redundant custom PDB reader/writer
2026-01-12 01:08:17 +09:00
1732d1c407 feat: Add simul-io crate with PDB/XYZ reader/writer
- PDB reader: parse ATOM/HETATM records
- PDB writer: write ATOM, MODEL/ENDMDL, CRYST1
- XYZ reader/writer: simple coordinate format
- Force field module placeholder

Update todo.md: mark completed items
2026-01-12 01:03:40 +09:00