Closed gustavojra closed 2 years ago
Merging #123 (5a68c41) into master (c548ed2) will decrease coverage by
1.32%
. The diff coverage is62.65%
.
@@ Coverage Diff @@
## master #123 +/- ##
==========================================
- Coverage 71.97% 70.65% -1.33%
==========================================
Files 42 41 -1
Lines 3065 2944 -121
==========================================
- Hits 2206 2080 -126
- Misses 859 864 +5
Impacted Files | Coverage Δ | |
---|---|---|
src/Backend/Arrays.jl | 40.90% <0.00%> (-54.70%) |
:arrow_down: |
src/Core/Options.jl | 100.00% <ø> (ø) |
|
.../Methods/CoupledCluster/PerturbativeTriples/abc.jl | 0.00% <0.00%> (ø) |
|
...Methods/CoupledCluster/PerturbativeTriples/ijk2.jl | 0.00% <0.00%> (ø) |
|
src/Methods/MollerPlesset/RMP2/RMP2b.jl | 0.00% <0.00%> (ø) |
|
src/Methods/CoupledCluster/RCCSD/RCCSDHelper.jl | 42.85% <33.33%> (ø) |
|
src/Methods/MollerPlesset/RMP2/RMP2a.jl | 57.14% <50.00%> (ø) |
|
src/Core/Integrals/ROIntegrals/Fock.jl | 21.11% <60.00%> (ø) |
|
src/Core/Integrals/AtomicIntegrals.jl | 100.00% <100.00%> (ø) |
|
.../Methods/CoupledCluster/PerturbativeTriples/ijk.jl | 100.00% <100.00%> (ø) |
|
... and 7 more |
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TBLIS removed as a dependency for Fermi.
From now on, TBLIS can be employed by explicitly using packages such as
BliContractor.jl
.As a consequence,
FermiMDArray
became obsolete and has been removed. This incurred in changes across many files, but they are mostly renaming FermiMD to simple Arrays.The diagonalize function has also been removed. Diagonalizations should now call
LinearAlgebra
explicitly.