Support list-valued Einstein spring constants

[njzjz-bot]

Summary:

• accept per-type spring constants directly in einstein.free_energy
• retain scalar spring scaling by atomic mass
• add a Vega reference regression test

Tests:

• PYTHONPATH=.. python -m unittest test_einstein.TestEinstein.test_vega_accepts_per_type_spring_constants -v
• python -m ruff check --select I,F --ignore F841 dpti/einstein.py tests/test_einstein.py

Fixes #130

Coding agent: Codex
Codex version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

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📥 Commits

Reviewing files that changed from the base of the PR and between 78091bd and 2e8caee.

📒 Files selected for processing (2)

• dpti/einstein.py
• tests/test_einstein.py

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[codecov]

Codecov Report

❌ Patch coverage is 0% with 2 lines in your changes missing coverage. Please review.
✅ Project coverage is 0.00%. Comparing base (78091bd) to head (2e8caee).

Files with missing lines	Patch %	Lines
dpti/einstein.py	0.00%	2 Missing ⚠️

Additional details and impacted files

@@          Coverage Diff          @@
##           devel    #157   +/-   ##
=====================================
  Coverage   0.00%   0.00%           
=====================================
  Files         25      25           
  Lines       6665    6666    +1     
=====================================
- Misses      6665    6666    +1     

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