C api tutorials - #311
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EricBoittier merged 5 commits intoSep 2, 2026
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Expand the C gallery with richer system queries, a harmonic Einstein-solid model, plugin registration, and strings/errors/units helpers. Mark the section as WIP and cite the published metatomic paper in the metadata demo. Co-authored-by: Cursor <[email protected]>
EricBoittier
marked this pull request as ready for review
September 2, 2026 09:41
Leave execute_inner unimplemented so CI is not blocked by the hand-rolled DenseArray backend. Energy and forces can follow in a later PR. Co-authored-by: Cursor <[email protected]>
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This should have been reviewed before merging, I undid the merge and we can re-open! |
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Expand the C API tutorial gallery with practical examples built on top of the
existing
1-create-systemtutorial:1-create-system.c: query length unit plus types, positions, cell, andPBC via
mta_system_get_data, and document the expected stdout.2-add-model.c(WIP stub): fill anmta_model_tvtable, register itthrough a plugin, and print formatted metadata.
execute_inner(energyTensorMaps and forces) is deferred to a follow-up PR.
3-add-plugin.c: demonstrate in-processmta_register_plugin/mta_load_model, unknown-model error handling, and theMTA_REGISTER_PLUGINshared-library pattern.4-strings-errors-units.c: covermta_string_t, unit conversion,last-error handling, and
mta_format_metadata, citing the publishedmetatensor/metatomic paper (
https://doi.org/10.1063/5.0304911).examples/c/README.rst.Contributor (creator of pull-request) checklist
Reviewer checklist