readcon-core
Start
Learn
Tutorial — first CON checkpoint
One Good Tutorial: read, inspect, write, build
How-to — migrate onto CON
API, convert CLI, readcon-db, plotting path
How-to — CON I/O by language
Task recipes for every binding
Tutorial — XYZ/PDB/GRO → CON
Convert foreign formats into CON
Convert
Tutorial — XYZ/PDB/GRO → CON
End-to-end format conversion
Executable conversion notebook
Org Babel: scripts/run-chemfiles-notebook.sh
How-to recipes
Batch convert, C API, install choices
Explain — why conversion is optional
Bonds, indices, two install flavours
Reference
APIs, grammar, install matrix
Ecosystem
readcon-db (campaign store)
LMDB corpora: energy/section indexes, xxHash3 dedup, multi-reader
readcon-db docs
Hosted package docs: corpus architecture, Select, C/Python/Fortran
readcon-db Rust API
docs.rs crate API for the campaign store
eOn
Saddle-point search on PESs
rgpot
Potential evaluation toolkit
chemparseplot
Parsing and plotting for computational chemistry
rgpycrumbs
CLI helpers for LODE / eOn workflows
pychum
ORCA / NWChem input generation
LODE org
Long-timescale dynamics ecosystem
Spec
Benchmarks
Rust API
GitHub
/
readcon-core
/
Changelog
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Changelog
¶
See
CHANGELOG.md
in the repository root for the full version history.
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readcon-core