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Fix Esma email
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@JosePizarro3
JosePizarro3 authored Aug 20, 2024
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Expand Up @@ -167,5 +167,5 @@ Once you modify your `nomad.yaml` file adding `include`, all the default plugins
| Dr. Nathan Daelman | [[email protected]](mailto:[email protected]) | DFT, Precision | [@ndaelman-hu](https://github.com/ndaelman-hu) |
| Dr. Bernadette Mohr | [[email protected]](mailto:[email protected]) | MD, FF | [@Bernadette-Mohr](https://github.com/Bernadette-Mohr) |
| Dr. José M. Pizarro | [[email protected]](mailto:[email protected]) | GW, DMFT, BSE | [@JosePizarro3](https://github.com/JosePizarro3) |
| Dr. Esma B. Boydas | [esma.birsen.boydas@chemie.hu-berlin.de](mailto:esma.birsen.boydas@chemie.hu-berlin.de) | Quantum Chemistry | [@EBB2675](https://github.com/EBB2675) |
| Dr. Esma B. Boydas | [esma.boydas@physik.hu-berlin.de](mailto:esma.boydas@physik.hu-berlin.de) | Quantum Chemistry | [@EBB2675](https://github.com/EBB2675) |
| Dr. Joseph F. Rudzinski (**Coordinator**) | [[email protected]](mailto:[email protected]) | General | [@JFRudzinski](https://github.com/JFRudzinski) |

2 comments on commit b137d03

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Coverage

Coverage Report
FileStmtsMissCoverMissing
src/nomad_simulations
   __init__.py4250%3–4
   _version.py11282%5–6
src/nomad_simulations/schema_packages
   __init__.py14286%53–55
   atoms_state.py1902189%31–33, 219–222, 246, 301–302, 370–371, 373, 555, 567–568, 629–633, 648–652, 659
   general.py75791%29–30, 98, 162, 272–273, 283
   model_method.py2657771%28–30, 189–192, 195–202, 294–295, 315, 336–355, 371–397, 400–417, 771, 782, 824–831, 869, 888, 968, 1025, 1100, 1214
   model_system.py2612292%43–45, 512–515, 562–569, 743–744, 965–969, 975–976, 984–985, 990, 1013
   numerical_settings.py2636575%30–32, 164, 234, 236–237, 240–243, 247–248, 255–258, 267–270, 274–277, 279–282, 287–290, 296–299, 470–497, 572, 607–610, 634, 637, 682, 684–687, 691, 695, 742, 746–767, 822–823, 890, 899–901, 904
   outputs.py1151091%27–28, 247–250, 290–293, 318, 320, 357, 376
   physical_property.py102793%38–40, 220, 349–351
   variables.py651183%26–28, 116, 139, 159–160, 163, 185, 208, 228
src/nomad_simulations/schema_packages/properties
   band_gap.py51590%26–28, 153–154
   band_structure.py1112280%27–29, 249–282, 295, 302, 338–339, 342
   energies.py42979%25–27, 54, 75, 100, 121, 137, 152
   fermi_surface.py17476%25–27, 58
   forces.py22673%26–28, 55, 75, 98
   hopping_matrix.py29583%25–27, 75, 110
   permittivity.py48883%25–27, 115–123
   spectral_profile.py26012851%27–29, 75–78, 113–116, 217–318, 374–386, 411–414, 434, 439–442, 484–520, 544, 591–594, 610–611, 616–622
   thermodynamics.py752764%25–27, 53, 74, 90, 99, 108, 119, 128, 155, 165, 175, 190–192, 195, 211, 231–233, 236, 252, 272–274, 277
src/nomad_simulations/schema_packages/utils
   utils.py681479%26–29, 79–88, 97–98, 103, 106
TOTAL209845478% 

Tests Skipped Failures Errors Time
297 0 💤 0 ❌ 0 🔥 2.377s ⏱️

@github-actions
Copy link

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Coverage

Coverage Report
FileStmtsMissCoverMissing
src/nomad_simulations
   __init__.py4250%3–4
   _version.py11282%5–6
src/nomad_simulations/schema_packages
   __init__.py14286%53–55
   atoms_state.py1902189%31–33, 219–222, 246, 301–302, 370–371, 373, 555, 567–568, 629–633, 648–652, 659
   general.py75791%29–30, 98, 162, 272–273, 283
   model_method.py2657771%28–30, 189–192, 195–202, 294–295, 315, 336–355, 371–397, 400–417, 771, 782, 824–831, 869, 888, 968, 1025, 1100, 1214
   model_system.py2612292%43–45, 512–515, 562–569, 743–744, 965–969, 975–976, 984–985, 990, 1013
   numerical_settings.py2636575%30–32, 164, 234, 236–237, 240–243, 247–248, 255–258, 267–270, 274–277, 279–282, 287–290, 296–299, 470–497, 572, 607–610, 634, 637, 682, 684–687, 691, 695, 742, 746–767, 822–823, 890, 899–901, 904
   outputs.py1151091%27–28, 247–250, 290–293, 318, 320, 357, 376
   physical_property.py102793%38–40, 220, 349–351
   variables.py651183%26–28, 116, 139, 159–160, 163, 185, 208, 228
src/nomad_simulations/schema_packages/properties
   band_gap.py51590%26–28, 153–154
   band_structure.py1112280%27–29, 249–282, 295, 302, 338–339, 342
   energies.py42979%25–27, 54, 75, 100, 121, 137, 152
   fermi_surface.py17476%25–27, 58
   forces.py22673%26–28, 55, 75, 98
   hopping_matrix.py29583%25–27, 75, 110
   permittivity.py48883%25–27, 115–123
   spectral_profile.py26012851%27–29, 75–78, 113–116, 217–318, 374–386, 411–414, 434, 439–442, 484–520, 544, 591–594, 610–611, 616–622
   thermodynamics.py752764%25–27, 53, 74, 90, 99, 108, 119, 128, 155, 165, 175, 190–192, 195, 211, 231–233, 236, 252, 272–274, 277
src/nomad_simulations/schema_packages/utils
   utils.py681479%26–29, 79–88, 97–98, 103, 106
TOTAL209845478% 

Tests Skipped Failures Errors Time
297 0 💤 0 ❌ 0 🔥 2.377s ⏱️

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