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@EBB2675
EBB2675 committed Sep 24, 2024
1 parent d436e95 commit 022c1fa
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/nomad_simulations/schema_packages/basis_set.py
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Expand Up @@ -211,21 +211,21 @@ class AtomCenteredBasisSet(BasisSetComponent):
type=str,
description="""
AuxC type of basis set.
"""
""",
)

aux_j_basis_set = Quantity(
type=str,
description="""
AuxJ type of basis set.
"""
""",
)

aux_jk_basis_set = Quantity(
type=str,
description="""
AuxJK type of basis set.
"""
""",
)

functional_composition = SubSection(
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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.py2452988%8–9, 122–133, 172–185, 236–237, 419–423, 445–446, 490–493, 612, 643, 645
   general.py89891%22–25, 139, 203, 313–314, 324
   model_method.py2657771%28–30, 189–192, 195–202, 294–295, 315, 336–357, 373–399, 402–419, 773, 784, 826–833, 871, 890, 970, 1027, 1102, 1216
   model_system.py2612292%43–45, 520–523, 570–577, 751–752, 973–977, 983–984, 992–993, 998, 1021
   numerical_settings.py2596176%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
   outputs.py1201092%27–28, 270–273, 313–316, 341, 343, 380, 399
   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.py22673%26–28, 55, 75, 98
   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
TOTAL249149780% 

Tests Skipped Failures Errors Time
382 0 💤 0 ❌ 0 🔥 5.683s ⏱️

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