SCM-NV/PLAMS
Nov 2024 – Jan 2026
2 Months active
Languages Used
Python
Technical Skills
PythonUnit Testingback end development
Tomáš Trnka
PROFILE
Tomáš Trnka
Worked on the SCM-NV/PLAMS repository to improve reliability and correctness in back end workflows using Python and unit testing. Addressed two complex bugs over two months, first by updating unit tests to use the 'is' operator for identity checks, ensuring molecule and atom objects are distinct and aligning with new content-based equality semantics in UCS. Later, enhanced AMSJob input handling by ensuring geometry files are preserved during conversion to Molecule objects, reducing confusion for downstream callers and improving pipeline robustness. The work focused on strengthening test coverage and input processing, contributing to more stable and predictable simulation workflows.
Overall Statistics
Feature vs Bugs
0%Features
Repository Contributions
2Total
Bugs
2
Commits
2
Features
0
Lines of code
12
Activity Months2
Your Network
29 peopleSame Organization
@scm.com13
Nestor AguirreMember
Giulio BenediniMember
Rosa BuloMember
Wei-Lin ChenMember
CuadradoBenaventMember
Franco EgidiMember
Mirko FranchiniMember
Matti HellströmMember
David Ormrod MorleyMember
Shared Repositories
16
Nestor AguirreMember
Giulio BenediniMember
Rosa BuloMember
Wei-Lin ChenMember
CuadradoBenaventMember
Franco EgidiMember
Mirko FranchiniMember
Matti HellströmMember
Nestor AguirreMember
Work History
January 2026
1 Commits
Jan 1, 2026January 2026 (2026-01) — SCM-NV/PLAMS: Robust input handling for AMSJob improved by fixing geometry file processing during conversion of input settings to a Molecule. Previously, System%GeometryFile could be left behind in from_input() -> settings_to_mol(), causing confusion for callers such as AMSWorker. The change ensures the geometry file is included in processed properties, enhancing reliability of AMSJob workflows and downstream simulations.
1 Commits
Jan 1, 2026January 2026 (2026-01) — SCM-NV/PLAMS: Robust input handling for AMSJob improved by fixing geometry file processing during conversion of input settings to a Molecule. Previously, System%GeometryFile could be left behind in from_input() -> settings_to_mol(), causing confusion for callers such as AMSWorker. The change ensures the geometry file is included in processed properties, enhancing reliability of AMSJob workflows and downstream simulations.
January 2026
November 2024
1 Commits
Nov 1, 2024November 2024 focused on aligning test identity semantics with UCS changes and hardening test coverage for PLAMS. The work ensured retrieved molecule and atom objects are distinct from input, reflecting the new content-based equality operator and preventing false positives in identity checks.
November 2024
1 Commits
Nov 1, 2024November 2024 focused on aligning test identity semantics with UCS changes and hardening test coverage for PLAMS. The work ensured retrieved molecule and atom objects are distinct from input, reflecting the new content-based equality operator and preventing false positives in identity checks.
Activity
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Quality Metrics
Correctness100.0%
Maintainability90.0%
Architecture80.0%
Performance90.0%
AI Usage20.0%
Skills & Technologies
Programming Languages
Python
Technical Skills
PythonUnit Testingback end development
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