nomad-coe / electronic-parsers
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Convert parser FEATURES.yml to ladinesa-style mapping reports (#341)

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34340996487 develop Convert parser FEATURES.yml to ladinesa-style mapping reports (#341) push web-flow github
92.86
34338698084 feat/parser-mapping-report Convert parser FEATURES.yml to ladinesa-style mapping reports Replace the free-form, LLM-authored `FEATURES.yml` capability files with per-parser `MAPPING_REPORT.md` files that mirror the programmatic mapping report of the new-schema simulation p... Pull #341 ndaelman-hu github
92.86
34218754496 unlink-parsers Unlink orca push ladinesa github
92.77
34218475028 unlink-parsers perf(fhiaims): optimize regexes and switch imports to nomad_file_parser (#340) - Switch import to nomad_file_parser - Replace greedy regex in structure quantity with bounded non-greedy pattern - Prioritize specific atom position regex over generi... push web-flow github
92.77
33621803074 refactor/use-nomad-file-parser perf(fhiaims): optimize regexes and switch imports to nomad_file_parser - Switch import to nomad_file_parser - Replace greedy regex in structure quantity with bounded non-greedy pattern - Prioritize specific atom position regex over generic fallback Pull #340 blueraft github
92.77
32179166552 v1.1.0 Parse VASP zero-weight (hybrid/HSE) band structures VASP hybrid/HSE band structures are self-consistent runs written as an explicit k-point list — a weighted SCF mesh followed by a zero-weight band path — with no `<generation>` block, so `samplin... push web-flow github
92.86
32178655143 develop Parse VASP zero-weight (hybrid/HSE) band structures VASP hybrid/HSE band structures are self-consistent runs written as an explicit k-point list — a weighted SCF mesh followed by a zero-weight band path — with no `<generation>` block, so `samplin... push web-flow github
92.86
32178604408 feat/vasp-hybrid-band-structure Test band-path threshold reads the entry point with a default fallback Cover `_band_path_discontinuity_threshold`: it returns the configured value when the `parsers/vasp` entry point resolves, and falls back to the entry-point Field default when ... push ndaelman-hu github
92.86
32053390790 feat/vasp-hybrid-band-structure Close fail-safe gaps in band-path handling (review feedback) Address code-review feedback that the fail-safe intent had holes: - Filter out-of-range label indices in `_band_path_signals`; an index outside `[0, n_kpoints)` would pass the deriva... Pull #339 ndaelman-hu github
92.85
32051088197 feat/vasp-hybrid-band-structure Share band-structure construction across line-mode and zero-weight paths Both band-path branches created the `BandStructure` with per-spin `band_gap` records and appended `BandEnergies` segments with identical code. Extract `_new_band_structure` ... Pull #339 ndaelman-hu github
92.85
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