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Recent Releases of nomad-parser-plugins-electronic

nomad-parser-plugins-electronic - v1.0.6

What's Changed

  • Various bug fixes by @ladinesa in https://github.com/nomad-coe/electronic-parsers/pull/300
  • Vasp fixes by @ondracka in https://github.com/nomad-coe/electronic-parsers/pull/302
  • Various fixes for reported siesta parsing failures by @ladinesa in https://github.com/nomad-coe/electronic-parsers/pull/304

Full Changelog: https://github.com/nomad-coe/electronic-parsers/compare/v1.0.5...v1.0.6

- Python
Published by ladinesa 7 months ago

nomad-parser-plugins-electronic - v1.0.5

What's Changed

  • input validation for atomic species from VASP xml output by @kubanmar in https://github.com/nomad-coe/electronic-parsers/pull/282
  • Implement qe workflow linking by @ladinesa in https://github.com/nomad-coe/electronic-parsers/pull/288
  • Add geometry optimization as calculation label by @ndaelman-hu in https://github.com/nomad-coe/electronic-parsers/pull/290
  • Random parser improvements by @ondracka in https://github.com/nomad-coe/electronic-parsers/pull/239
  • Fix reported issue with gpaw by @ladinesa in https://github.com/nomad-coe/electronic-parsers/pull/297
  • Update numpy by @blueraft in https://github.com/nomad-coe/electronic-parsers/pull/299

New Contributors

  • @kubanmar made their first contribution in https://github.com/nomad-coe/electronic-parsers/pull/282

Full Changelog: https://github.com/nomad-coe/electronic-parsers/compare/v1.0.4...v1.0.5

- Python
Published by ladinesa 7 months ago

nomad-parser-plugins-electronic - v1.0.4

What's Changed

  • Update README.md by @JFRudzinski in https://github.com/nomad-coe/electronic-parsers/pull/275
  • Bump mypy version by @ndaelman-hu in https://github.com/nomad-coe/electronic-parsers/pull/278
  • Fix reported issue with nonlc band energies by @ladinesa in https://github.com/nomad-coe/electronic-parsers/pull/280
  • Fix reported issue with reading partial dos by @ladinesa in https://github.com/nomad-coe/electronic-parsers/pull/281
  • Fix np.dot on pint by @ladinesa in https://github.com/nomad-coe/electronic-parsers/pull/283

Full Changelog: https://github.com/nomad-coe/electronic-parsers/compare/v1.0.3...v1.0.4

- Python
Published by ladinesa 12 months ago

nomad-parser-plugins-electronic - v1.0.3

What's Changed

  • added doi by @JFRudzinski in https://github.com/nomad-coe/electronic-parsers/pull/259
  • Fix broken tests (Psi4, Ocean) by @ndaelman-hu in https://github.com/nomad-coe/electronic-parsers/pull/261
  • added author by @JFRudzinski in https://github.com/nomad-coe/electronic-parsers/pull/260
  • Wien2k: core-hole parsing by @jfrodlova in https://github.com/nomad-coe/electronic-parsers/pull/257
  • Bump depedencies by @ndaelman-hu in https://github.com/nomad-coe/electronic-parsers/pull/263
  • Minor fix ams parser by @ladinesa in https://github.com/nomad-coe/electronic-parsers/pull/268
  • Fix cp2k inp by @ndaelman-hu in https://github.com/nomad-coe/electronic-parsers/pull/270
  • Patch QE n_electrons by @ndaelman-hu in https://github.com/nomad-coe/electronic-parsers/pull/271
  • Relax pydantic version by @blueraft in https://github.com/nomad-coe/electronic-parsers/pull/273

Full Changelog: https://github.com/nomad-coe/electronic-parsers/compare/v1.0.2...v1.0.3

- Python
Published by ladinesa about 1 year ago

nomad-parser-plugins-electronic - Zenodo publish

- Python
Published by JFRudzinski over 1 year ago

nomad-parser-plugins-electronic - Zenodo publish

- Python
Published by JFRudzinski over 1 year ago

nomad-parser-plugins-electronic - Initial release

- Python
Published by ladinesa over 1 year ago