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cesmix-mit / InteratomicPotentials.jl

Contains methods and types for a variety interatomic potentials.
MIT License
27 stars 6 forks source link

Merge InteratomicBasisPotentials.jl into InteratomicPotentials.jl + Updates from PotentialLearning.jl #50

Closed emmanuellujan closed 8 months ago

codecov-commenter commented 9 months ago

Codecov Report

Attention: 679 lines in your changes are missing coverage. Please review.

Comparison is base (7ce2df9) 98.07% compared to head (5aaf245) 59.13%.

Files Patch % Lines
src/BasisSystems/SNAP/LAMMPS_SNAP/bispectrum.jl 0.00% 272 Missing :warning:
src/BasisSystems/SNAP/utilities/compute_yi.jl 0.00% 86 Missing :warning:
src/BasisSystems/SNAP/snap.jl 60.28% 56 Missing :warning:
src/BasisSystems/SNAP/LAMMPS_SNAP/snap.jl 0.00% 47 Missing :warning:
src/BasisSystems/SNAP/utilities/compute_dij.jl 0.00% 45 Missing :warning:
src/BasisPotentials/basis_potentials.jl 0.00% 22 Missing :warning:
src/BasisSystems/SNAP/LAMMPS_SNAP/virial.jl 0.00% 22 Missing :warning:
src/BasisSystems/SNAP/utilities/compute_b.jl 90.00% 21 Missing :warning:
src/BasisSystems/ACE/ace.jl 58.33% 20 Missing :warning:
src/BasisPotentials/linear_potential.jl 15.78% 16 Missing :warning:
... and 8 more

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Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #50 +/- ## =========================================== - Coverage 98.07% 59.13% -38.94% =========================================== Files 12 32 +20 Lines 156 1669 +1513 =========================================== + Hits 153 987 +834 - Misses 3 682 +679 ```

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