Add SPHInX to README

[samwaseda]

I find the descriptions for the DFT tools confusing, because they look quite different from each other, even though they do mostly the same stuff. Besides just "Molecular Dynamics" for LAMMPS is just too short...

Summary by CodeRabbit

• Documentation
  • Updated the README to include SPHInX as a supported simulation code in the list of calculators.

[coderabbitai]

Walkthrough

The README.md file was updated to add SPHInX to the list of supported simulation codes in the atomistics package. SPHInX is described as a plane wave DFT code with interactive tools, charged defect correction, and spin constraints. No code or logic changes were made.

Changes

File(s)	Change Summary
README.md	Added SPHInX to the list of supported simulation codes with description

Poem

In README fields where codes are shown,
SPHInX now claims a spot of its own.
With plane waves and spins, defects in tow,
The list of support continues to grow.
A rabbit hops by, quite pleased to see—
More choices for all in atomistry!

---

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[coderabbitai]

Actionable comments posted: 0

🧹 Nitpick comments (1)

README.md (1)

15-15: Align wording with existing entries

Other calculators spell out “density functional theory” instead of abbreviating it to “DFT”. For consistency across the list you may want to expand the acronym and mirror their sentence structure.

-* [SPHInX](https://sxrepo.mpie.de) - Plane wave DFT with interactive tools, charged defect correction and spin constraints
+* [SPHInX](https://sxrepo.mpie.de) - Plane-wave density functional theory code with interactive tools, charged-defect correction and spin constraints

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL
Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between 976fd24 and e00a285.

📒 Files selected for processing (1)

• README.md (1 hunks)

⏰ Context from checks skipped due to timeout of 90000ms (14)

• GitHub Check: unittest_old
• GitHub Check: unittest_matrix (ubuntu-latest, 3.11)
• GitHub Check: unittest_matrix (windows-latest, 3.12)
• GitHub Check: unittest_gpaw
• GitHub Check: unittest_siesta
• GitHub Check: unittest_matrix (ubuntu-latest, 3.10)
• GitHub Check: unittest_mace
• GitHub Check: unittest_qe
• GitHub Check: unittest_matrix (ubuntu-latest, 3.12)
• GitHub Check: unittest_sphinxdft
• GitHub Check: unittest_matrix (macos-latest, 3.12)
• GitHub Check: unittest_matgl
• GitHub Check: coverage
• GitHub Check: notebooks

[jan-janssen]

Looks good to me

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 85.27%. Comparing base (1b73caf) to head (e00a285).
Report is 9 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #486   +/-   ##
=======================================
  Coverage   85.27%   85.27%           
=======================================
  Files          43       43           
  Lines        2581     2581           
=======================================
  Hits         2201     2201           
  Misses        380      380           

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