FAIRmat-NFDI / nomad-parser-plugins-simulation / 27194318854

Builds Branch Commit Type Ran Committer Via Coverage
27194318854 minimal-orca-parser minimize tests Pull #182 EBB2675 github
75.45
27190880843 develop Initial implementation (#172) push web-flow github
74.48
27190602435 init-parser-util Initial implementation Pull #172 ladinesa github
74.48
27190547064 minimal-orca-parser parse more Pull #182 EBB2675 github
75.22
27136602192 minimal-orca-parser cleanup Pull #182 EBB2675 github
75.02
27130663993 minimal-orca-parser fix test Pull #182 EBB2675 github
74.99
26955092983 feature/fhiaims-scf-convergence-alvin Fix rebase Pull #181 ladinesa github
74.16
26954883161 feature/fhiaims-scf-convergence-alvin Add all scf criteria push ladinesa github
74.16
26951913208 lammps-parser_model-method implemented ForceCalculations Pull #147 Bernadette-Mohr github pending completion
26894435401 fix/fhiaims-enable-energy-mapping Fix ruff linting issues - Break long lines to comply with 88 char limit - Reformat test assertions for readability - All tests still passing Pull #183 ndaelman-hu github
74.35
26891449779 fix/fhiaims-enable-energy-mapping Re-enable FHI-aims total energy mapping Re-enables the `total_energies` mapping for FHI-aims parser that was disabled in commit 0e00561 (PR #150, March 2026). The parser's `get_energies()` method has remained functional, only the schema mapping a... push ndaelman-hu github
74.35
26827810869 minimal-orca-parser parse coeffs, add output file with coeffs Pull #182 EBB2675 github
74.54
26826917922 minimal-orca-parser rm remove_mapping_annotations Pull #182 EBB2675 github
74.55
26824276235 minimal-orca-parser add a minimal orca parser push EBB2675 github
74.43
26806143994 develop Add FHI-aims SCF convergence criteria extraction (#177) * Add SCF convergence criteria mapping for FHI-aims Add SelfConsistency annotation using multi-mapper pattern to extract convergence criteria (energy, density, eigenvalues) as separate inst... push web-flow github
74.18