• Home
  • Features
  • Pricing
  • Docs
  • Announcements
  • Sign In

nomad-coe / nomad-simulations / 14861134994 / 1
82%
develop: 82%

Build:
DEFAULT BRANCH: develop
Ran 06 May 2025 01:39PM UTC
Files 35
Run time 1s
Badge
Embed ▾
README BADGES
x

If you need to use a raster PNG badge, change the '.svg' to '.png' in the link

Markdown

Textile

RDoc

HTML

Rst

06 May 2025 01:38PM UTC coverage: 67.725% (-2.6%) from 70.31%
14861134994.1

push

github

web-flow
Refactoring model system (#170)

* work with basesections.v2

* remove the redundant child model_system subsection

* move positions Quantity to ModelSystem

* AtomsState(Element), remove helper functions, modify normalize() to check consistency between chemical_symbol and atomic_number

* remove positions and velocities from Cell

* move ASE Atoms object creation to ModelSystem

* add sub_systems to ModelSystem

* add total_charge and total_spin to ModelSystem

* add ModelSystem.sub_systems instead of ModelSystem.model_system

* move comparison functions from AtomicCell to ModelSystem

* add ParticleState and CoarseGrainedState

* Refactor symmetry resolution: use dict mapping for cell types

* remove atom_types and related tests

* remove too many warnings in get_chemical_symbols

* ModelSystem.particle_states instead of atom_states

* remove redundant positions length checks

* n_particles and particle_indices (instead of n_atoms and atom_indices)

* add a note in GeometricSpace.get_geometric_space_for_atomic_cell

* modify to_ase_atoms, test_numerical_settings.py 

* modify conftest so that model_system.positions are populated

* import the v2 Entity in physical_property.py

* Fix DOSProfile normalization factor resolution to use model_system.particle_states

* Remove unused variable from SlaterKosterBond normalization test

* fix APW-refs fixture in conftest.py

* fix spectral profile tests

* Remove redundant try/except around get_geometric_space_for_atomic_cell

* add a test for composition formula

1899 of 2804 relevant lines covered (67.72%)

0.68 hits per line

Source Files on job 14861134994.1
  • Tree
  • List 35
  • Changed 7
  • Source Changed 0
  • Coverage Changed 7
Coverage ∆ File Lines Relevant Covered Missed Hits/Line
  • Back to Build 14861134994
  • debca0a9 on github
  • Prev Job for on develop (#14352741464.1)
  • Next Job for on develop (#14879068043.1)
  • Delete
STATUS · Troubleshooting · Open an Issue · Sales · Support · CAREERS · ENTERPRISE · START FREE · SCHEDULE DEMO
ANNOUNCEMENTS · TWITTER · TOS & SLA · Supported CI Services · What's a CI service? · Automated Testing

© 2026 Coveralls, Inc