Keyword type inference

[t-young31]

Improves usability when calling single_point() or optimise() on a species by infering the type of keywords needed to perform the calculation e.g.

import autode as ade
mol = ade.Molecule(smiles='O')
mol.single_point(method=ade.methods.ORCA(), 
                 keywords=['SP', 'B3LYP', 'def2-SVP'])

also allows for keywords to be given as a string with

mol.single_point(method=ade.methods.ORCA(), 
                 keywords='SP B3LYP def2-SVP')

---

• Update changelog
• Update documentation
• Add tests

[codecov]

Codecov Report

Merging #100 (a3cde0a) into v1.2.0 (72dc395) will increase coverage by 0.06%.
The diff coverage is 99.04%.

@@            Coverage Diff             @@
##           v1.2.0     #100      +/-   ##
==========================================
+ Coverage   95.82%   95.88%   +0.06%     
==========================================
  Files          83       83              
  Lines        8628     8682      +54     
==========================================
+ Hits         8268     8325      +57     
+ Misses        360      357       -3     

Flag	Coverage Δ
unittests	95.88% <99.04%> (+0.06%)	⬆️

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files	Coverage Δ
autode/wrappers/keywords.py	99.64% <98.78%> (-0.36%)	⬇️
autode/calculation.py	96.76% <100.00%> (ø)
autode/species/species.py	99.53% <100.00%> (+0.01%)	⬆️
autode/wrappers/ORCA.py	88.76% <0.00%> (+1.49%)	⬆️

---

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 72dc395...a3cde0a. Read the comment docs.