user-set threshold

[amandadumi]

Introduces the option to allow the user to set the threshold for normalization if desired. If no threshold is provided, the default as previously defined is used.

A note: The threshold argument was an option for the _is_normalized_properly did have a threshold argument, but wasn't easily accessible by the user it seemed.

[amandadumi]

Ah, I see this function is called in other places. I'll look at addressing these over the weekend.

[tovrstra]

I'm trying to handle some long overdue PRs in the near future. I'll bring this one up to date with the current master branch and see what needs to be done. The idea of making the threshold configurable is good. We just need to make sure all tests keep working and there is a unit test for this feature.

[codecov[bot]]

Codecov Report

Merging #286 (9a4f1ae) into master (8499861) will increase coverage by 0.00%. The diff coverage is 96.42%.

@@           Coverage Diff           @@
##           master     #286   +/-   ##
=======================================
  Coverage   95.01%   95.02%           
=======================================
  Files          74       74           
  Lines        8811     8827   +16     
  Branches     1213     1213           
=======================================
+ Hits         8372     8388   +16     
  Misses        191      191           
  Partials      248      248           

Impacted Files	Coverage Δ
iodata/formats/molden.py	92.47% <88.88%> (ø)
iodata/formats/molekel.py	89.55% <100.00%> (ø)
iodata/test/test_molden.py	99.31% <100.00%> (+0.01%)	:arrow_up:
iodata/test/test_molekel.py	100.00% <100.00%> (ø)

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[tovrstra]

@FarnazH @PaulWAyers Some points were improved, and I'm fine with it now. I'll leave some time for additional comments until May 15 before merging.