MolSSI-Education / QM_2017_SSS_Team11

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Fix bas_str and unnecessary transpose in jk.py #42

Closed bgpeyton closed 7 years ago

bgpeyton commented 7 years ago

Added a new variable in params.py, "bas_str" to hold a string for the basis set. This string is needed in jk.py.

Also fixed an unnecessary transpose done within jk.py.

codecov[bot] commented 7 years ago

Codecov Report

Merging #42 into master will increase coverage by 0.02%. The diff coverage is 85.71%.

@@            Coverage Diff             @@
##           master      #42      +/-   ##
==========================================
+ Coverage   94.73%   94.76%   +0.02%     
==========================================
  Files           6        6              
  Lines         190      191       +1     
==========================================
+ Hits          180      181       +1     
  Misses         10       10