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started angles, started to generalize, e.g., polynomial
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jrudz committed Sep 24, 2024
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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
   basis_set.py2402888%8–9, 122–133, 172–185, 208, 391–395, 417–418, 462–465, 584, 615, 617
   force_field.py2566973%135, 141, 191, 200, 214–215, 219, 224, 259–265, 299–305, 329–331, 366–367, 371, 390–391, 418–419, 457–463, 467–469, 505–506, 510–511, 537–538, 602–603, 607, 626–627, 645–646, 659–665, 697–698, 738–739, 748–754, 758–760, 836–839
   general.py89891%22–25, 139, 203, 313–314, 324
   model_method.py2667771%28–30, 198–201, 204–211, 303–304, 324, 345–364, 380–406, 409–426, 780, 791, 833–840, 878, 897, 977, 1034, 1109, 1223
   model_system.py2612292%43–45, 520–523, 570–577, 751–752, 974–978, 984–985, 993–994, 999, 1022
   numerical_settings.py2676277%30–32, 235, 237–238, 241–244, 248–249, 256–259, 268–271, 275–278, 280–283, 288–291, 297–300, 487–514, 589, 624–627, 651, 654, 699, 701–704, 708, 712, 759, 763–784, 839–840, 907, 990
   outputs.py1201092%27–28, 268–271, 311–314, 339, 341, 378, 397
   physical_property.py102793%38–40, 220, 349–351
   variables.py861286%26–28, 116, 139, 163, 185, 207, 229, 251, 274, 294
src/nomad_simulations/schema_packages/properties
   band_gap.py51590%26–28, 153–154
   band_structure.py1232580%27–29, 250–283, 296, 303, 339–340, 343, 390–391, 396
   energies.py42979%25–27, 54, 75, 100, 121, 137, 152
   fermi_surface.py17476%25–27, 58
   forces.py25676%26–28, 62, 82, 105
   greens_function.py991387%25–27, 228–229, 232, 253–254, 257, 278–279, 282, 418
   hopping_matrix.py29583%25–27, 76, 112
   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
TOTAL275456679% 

Tests Skipped Failures Errors Time
393 0 💤 1 ❌ 0 🔥 5.873s ⏱️

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