FAIRmat-NFDI / nomad-simulations / 29042927576

86%

develop: 86%

Build Type

Pull #403

github

Committed by ndaelman-hu

Commit Message

Normalize all spelled-out Greek k-point labels, not only Gamma

SeeKpath spells Greek-letter high-symmetry points in upper case (GAMMA,
SIGMA, ...). The conversion only title-cased GAMMA, leaving labels such
as SIGMA_0 upper case and inconsistent. Generalize to title-case any
multi-letter alphabetic label prefix, so GAMMA -> Gamma and
SIGMA_0 -> Sigma_0, while single-letter Latin labels (X, L, H_2) are
unchanged. Update the affected test expectation.

Pull Request Pull Request #403: fix KMesh high-symmetry point fallback for ASE lattice mismatches

Coverage Stats

101 of 103 new or added lines in 3 files covered. (98.06%)

41 existing lines in 1 file now uncovered.

9837 of 11425 relevant lines covered (86.1%)

2.58 hits per line