(T) improved, new implementations added #107
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…romotion needs to happen)
…l results. Current ones are placeholders
…luded to be used. It simplifies issues with dependencies
Codecov Report
@@ Coverage Diff @@
## master #107 +/- ##
==========================================
- Coverage 72.44% 63.49% -8.95%
==========================================
Files 36 41 +5
Lines 2943 3301 +358
==========================================
- Hits 2132 2096 -36
- Misses 811 1205 +394
Continue to review full report at Codecov.
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I am merging this, but the coverage needs to be fixed (>70%) ASAP!!!! |
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drop_occfor you based on the molecule found in the options)tblisis now default totrueMolecules.jlis now integrated to the code and the corresponding code in Fermi has been removed.benchmarkfolder, zipped away.