Gromacs parser results

[Bernadette-Mohr]

Purpose

Briefly describe the problem this PR addresses and why it matters.

Scope

Included

Out of scope

Context & Links

Reminder: Link related issues or PRs (in the sidebar or below). Add short description for any needed context.

Reviewer Notes

Anything reviewers should pay special attention to? Trade-offs, known limitations, or areas of uncertainty.

Status

• Draft / In progress
• Ready for review
• Blocked (explain):

Breaking Changes

• None
• (explain):

Dependencies / Blockers

• None
• Open design questions (explain):
• External dependencies (explain):

Testing / Validation

How was this change validated?

• None (explain):
• Unit tests
• Integration tests
• Manual testing (explain):

[coveralls]

Pull Request Test Coverage Report for Build 23293190282

Details

• 128 of 134 (95.52%) changed or added relevant lines in 3 files are covered.
• 1 unchanged line in 1 file lost coverage.
• Overall coverage increased (+0.3%) to 71.248%

---

Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
src/nomad_simulation_parsers/parsers/gromacs/parser.py	92	98	93.88%

Files with Coverage Reduction	New Missed Lines	%
src/nomad_simulation_parsers/parsers/gromacs/parser.py	1	88.33%

Totals
Change from base Build 22353432580:	0.3%
Covered Lines:	6443
Relevant Lines:	9043

---

💛 - Coveralls