FAIRmat-NFDI / nomad-file-parser / 29157101817

72%

develop: 77%

Pull #10

github

Add CHGCARFileParser for VASP charge-density grids

Port the VASP CHGCAR charge-density reader into nomad-file-parser as a
shared file-format parser alongside TarParser/XMLParser. It reads the
POSCAR-style header and each subsequent grid block, exposing one reshaped
array per block under the 'values' key (total density, magnetisation, ...).

Exported from the package root and covered by a multi-block unit test.

43 of 44 new or added lines in 3 files covered. (97.73%)

1670 of 2331 relevant lines covered (71.64%)

2.15 hits per line