breaking: add "force" to default cli Gaussian keywords; update cli docs

[njzjz]

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[codecov-commenter]

Codecov Report

Merging #141 (630c898) into master (f0c4b2a) will not change coverage.
The diff coverage is 0.00%.

@@           Coverage Diff           @@
##           master     #141   +/-   ##
=======================================
  Coverage   89.48%   89.48%           
=======================================
  Files           7        7           
  Lines         647      647           
=======================================
  Hits          579      579           
  Misses         68       68           

Impacted Files	Coverage Δ
mddatasetbuilder/datasetbuilder.py	89.16% <0.00%> (ø)

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