Temp as value

[t-young31]

Resolves #291

Sorry about the diff – I updated black and it decided to delete a bunch of lines. Files changed:

• https://github.com/duartegroup/autodE/pull/306/files#diff-49f3b6ce053c11a78b780bee71555518f7680993010c4b2e9b750c15a06dc786
• https://github.com/duartegroup/autodE/pull/306/files#diff-c4016905746285c1179a4e419a55d66f5aceae02bf5a2db16504c7b2ae4fe43d
• https://github.com/duartegroup/autodE/pull/306/files#diff-24339e2b10425d717056d38af76e07cddd43cf613ec848da4c588b7e82cbc09d
• https://github.com/duartegroup/autodE/pull/306/files#diff-c1dcc0e4e16f8e7b57405846ca6509373641944ce182947cad2d99902cc013bf
• https://github.com/duartegroup/autodE/pull/306/files#diff-6187bde660117c9bb2aec3c07e26b30ade685b97e80f449459e5eac91165610f
• https://github.com/duartegroup/autodE/pull/306/files#diff-a7dcfffdb06fd390f2ddc46618db42e08d2d6d61aee5f33a806c9b5109f7c840
• https://github.com/duartegroup/autodE/pull/306/files#diff-621c2f717432e503a4cf8c7950edb76fb290c0b2716cd261bc0a988e55550c70

---

Checklist

• The changes include an associated explanation of how/why
• Test pass
• Documentation has been updated
• Changelog has been updated

[codecov]

Codecov Report

Merging #306 (6756d20) into v1.4.1 (d29a528) will increase coverage by 0.15%.
Report is 1 commits behind head on v1.4.1.
The diff coverage is 97.76%.

❗ Current head 6756d20 differs from pull request most recent head 93704e7. Consider uploading reports for the commit 93704e7 to get more accurate results

@@            Coverage Diff             @@
##           v1.4.1     #306      +/-   ##
==========================================
+ Coverage   97.20%   97.35%   +0.15%     
==========================================
  Files         204      206       +2     
  Lines       22896    23044     +148     
==========================================
+ Hits        22256    22435     +179     
+ Misses        640      609      -31     

Flag	Coverage Δ
unittests	97.35% <97.76%> (+0.15%)	⬆️

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

Files	Coverage Δ
autode/__init__.py	100.00% <100.00%> (ø)
autode/atoms.py	100.00% <ø> (ø)
autode/bond_rearrangement.py	96.28% <ø> (ø)
autode/calculations/executors.py	97.62% <ø> (ø)
autode/calculations/output.py	100.00% <ø> (ø)
autode/config.py	100.00% <100.00%> (ø)
autode/conformers/conf_gen.py	94.83% <100.00%> (ø)
autode/conformers/conformer.py	100.00% <ø> (ø)
autode/conformers/conformers.py	100.00% <ø> (ø)
autode/constants.py	100.00% <ø> (ø)
... and 130 more

... and 2 files with indirect coverage changes