Testing

[AlexHeide]

• [x] removed globals
• [x] removed reloads
• [x] removed psi4 imports
• [x] removed running molecules in succession
• [x] temporarily removed IRC code
• [x] added tests of PsiAPI
• [x] removed mass weighted Hessian calc as default
• [x] added pytest tests
• [x] fixed bug in reading optking options

[codecov[bot]]

Codecov Report

:exclamation: No coverage uploaded for pull request base (master@267bcf0). Click here to learn what that means. The diff coverage is 92.85%.

@@            Coverage Diff            @@
##             master      #17   +/-   ##
=========================================
  Coverage          ?   65.02%           
=========================================
  Files             ?       31           
  Lines             ?     3597           
  Branches          ?        0           
=========================================
  Hits              ?     2339           
  Misses            ?     1258           
  Partials          ?        0

Impacted Files	Coverage Δ
optking/intcosMisc.py	76.87% <ø> (ø)
optking/optParams.py	58.76% <ø> (ø)
optking/misc.py	59% <100%> (ø)
optking/optimize.py	81.93% <100%> (ø)
psi4/Psi4Opt.py	81.48% <92%> (ø)

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