Scale factor smd

[Lilachn91]

Added calculated frequency scale factors for several levels of theory in solvent, using SMD.
Also, since for some LoTs the database includes calculated scale factors with and without solvation, arc will report in the log file where the scaling factor was taken from, and what is its value.

[Copilot]

Pull request overview

This PR extends ARC’s harmonic frequency scaling-factor database with additional solvent-phase (SMD/DMSO) entries and enhances runtime logging to report where the chosen scaling factor came from.

Changes:

• Added new frequency scaling factors to data/freq_scale_factors.yml for several levels of theory, including SMD/DMSO cases and additional basis variants.
• Updated ARC.check_freq_scaling_factor() to log the scaling factor along with its source (user input, database, Truhlar’s method, or fallback).

Reviewed changes

Copilot reviewed 2 out of 2 changed files in this pull request and generated 1 comment.

File	Description
data/freq_scale_factors.yml	Adds new scaling-factor entries (including solvent-phase variants) to the lookup database.
arc/main.py	Improves observability by logging the scaling factor value and its provenance.

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[calvinp0]

@Lilachn91 looks good! Can you just do the fix mentioned by ChatGPT and consolidate the commits

[calvinp0]

Just need some changes, as mentioned

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 58.67%. Comparing base (0c6e7c5) to head (bf4b963).
⚠️ Report is 3 commits behind head on main.

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #834      +/-   ##
==========================================
- Coverage   58.72%   58.67%   -0.05%     
==========================================
  Files          97       97              
  Lines       29197    29203       +6     
  Branches     7752     7752              
==========================================
- Hits        17146    17136      -10     
- Misses       9856     9868      +12     
- Partials     2195     2199       +4     

Flag	Coverage Δ
functionaltests	58.67% <ø> (-0.05%)	⬇️
unittests	58.67% <ø> (-0.05%)	⬇️

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