Add InterfaceCalc Class for Interface Structure and Energy Calculation

[so2koo]

Summary

This includes InterfaceCalc for interface structure/energy calculation (same process with SurfaceCalc).

From two different bulk structures, interface structure is generated by pymatgen CoherentInterfaceBuilder.
For bulk/interface structure relaxation, use RelaxCalc and return interfacial energy to sort out the lowest interface energy.

Todos

If this is work in progress, what else needs to be done?

Checklist

• Google format doc strings added. Check with ruff.
• Type annotations included. Check with mypy.
• Tests added for new features/fixes.
• If applicable, new classes/functions/modules have duecredit @due.dcite decorators to reference relevant papers by DOI (example)

Tip: Install pre-commit hooks to auto-check types and linting before every commit:

pip install -U pre-commit
pre-commit install

[codecov]

Codecov Report

❌ Patch coverage is 0% with 79 lines in your changes missing coverage. Please review.
✅ Project coverage is 90.23%. Comparing base (41d5edc) to head (c0da967).

Files with missing lines	Patch %	Lines
src/matcalc/_interface.py	0.00%	79 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #117      +/-   ##
==========================================
- Coverage   96.32%   90.23%   -6.10%     
==========================================
  Files          22       23       +1     
  Lines        1170     1249      +79     
==========================================
  Hits         1127     1127              
- Misses         43      122      +79     

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[rul048]

Thank you for your contribution, Sojung.

1. Could you please run ruff check .py and ruff format .py to check and clear any style issues, and then use mypy .py to catch potential type inconsistencies? These steps usually take care of the bulk of linting concerns.
2. It would also be immensely helpful to add unit tests that exercise the new functions to keep the coverage consistent with the rest of the codebase.
3. Please also add this code from ._interface import InterfaceCalc into _init_.py like what we do for other property calculators. This will make sure the users can directly call InterfaceCalc.
4. We usually avoid using print statements inside functions. If needed, we use logging or return values instead to maintain clean and reusable code.

No worry, I will help with you on these stuffs.

[rul048]

We usually avoid using print statements inside functions. If needed, we use logging or return values instead to maintain clean and reusable code.

[shyuep]

@rul048 @so2koo Pls merge this by Wed. Again, we cannot be working at an efficiency that takes weeks/months to merge a single simple feature.

[rul048]

We will replace m3gnet_calculator with matpes_calculator for all tests.

[rul048]

All lints and tests for InterfaceCalc have passed.