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Add factory to create electronic solver instances #69

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merged 4 commits into from
Jun 21, 2022
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@awvwgk awvwgk commented Jun 21, 2022

Closes #68

cc @cbannwarth

@awvwgk awvwgk added the enhancement New feature or request label Jun 21, 2022
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codecov bot commented Jun 21, 2022

Codecov Report

Merging #69 (f740a38) into main (dcfb318) will decrease coverage by 0.53%.
The diff coverage is 36.32%.

@@            Coverage Diff             @@
##             main      #69      +/-   ##
==========================================
- Coverage   73.12%   72.58%   -0.54%     
==========================================
  Files         119      123       +4     
  Lines       15268    15489     +221     
  Branches     4505     4607     +102     
==========================================
+ Hits        11165    11243      +78     
- Misses       2084     2182      +98     
- Partials     2019     2064      +45     
Impacted Files Coverage Δ
app/cli.f90 22.25% <0.00%> (-0.65%) ⬇️
app/driver_run.f90 24.24% <0.00%> (-0.19%) ⬇️
src/tblite/lapack/potrf.f90 28.57% <28.57%> (ø)
src/tblite/lapack/sygst.f90 30.00% <30.00%> (ø)
src/tblite/lapack/sygvr.f90 34.23% <34.23%> (ø)
src/tblite/blas/level3.f90 15.33% <35.29%> (+5.85%) ⬆️
src/tblite/context/type.f90 62.50% <60.00%> (-1.14%) ⬇️
src/tblite/lapack/solver.f90 64.70% <64.70%> (ø)
src/tblite/lapack/sygvd.f90 32.35% <66.66%> (-3.14%) ⬇️
src/tblite/xtb/singlepoint.f90 78.36% <66.66%> (+0.12%) ⬆️
... and 1 more

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@awvwgk awvwgk merged commit a0affbf into tblite:main Jun 21, 2022
@awvwgk awvwgk deleted the sygvr branch June 21, 2022 11:34
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Allow selection of electronic solvers
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