deepmodeling/abacus-develop
Nov 2024 – Jul 2025
4 Months active
Languages Used
C++PythonMakefileMarkdown
Technical Skills
Code RefactoringComputational PhysicsFortranHigh-Performance ComputingC++ DevelopmentInput Parsing
jiyuyang
PROFILE
Jiyuyang
Over four months, contributed to deepmodeling/abacus-develop by building and refining core features for computational chemistry and physics workflows. Enhanced the EXX calculation framework for relaxation and molecular dynamics, focusing on robust parameter handling and improved numerical accuracy. Developed advanced numeric expression parsing using C++ and regular expressions, enabling support for scientific notation and negative values. Expanded the math library with complex error function support and diversified Coulomb matrix construction methods, increasing simulation flexibility. Introduced long-range corrected hybrid functional capabilities and overhauled parameter frameworks, leveraging C++, Fortran, and Python to deliver more accurate, configurable, and reliable scientific computing infrastructure.
Overall Statistics
Feature vs Bugs
100%Features
Repository Contributions
8Total
Bugs
0
Commits
8
Features
6
Lines of code
5,474
Activity Months4
Your Network
32 peopleWork History
July 2025
3 Commits • 2 Features
Jul 1, 2025Concise monthly summary for 2025-07 focusing on delivering business value through robust parameterization and extended functional capabilities in the abacus-develop repo.
3 Commits • 2 Features
Jul 1, 2025Concise monthly summary for 2025-07 focusing on delivering business value through robust parameterization and extended functional capabilities in the abacus-develop repo.
July 2025
June 2025
2 Commits • 2 Features
Jun 1, 2025June 2025 monthly summary for deepmodeling/abacus-develop, focusing on expanding math library capabilities and enhancing Coulomb matrix construction flexibility. Key outcomes include complex Erf support in the math library and refactoring to support multiple Coulomb matrix construction methods, along with improvements to stability and compatibility across modules. These changes enable more advanced simulations, greater configurability, and a stronger foundation for future features.
June 2025
2 Commits • 2 Features
Jun 1, 2025June 2025 monthly summary for deepmodeling/abacus-develop, focusing on expanding math library capabilities and enhancing Coulomb matrix construction flexibility. Key outcomes include complex Erf support in the math library and refactoring to support multiple Coulomb matrix construction methods, along with improvements to stability and compatibility across modules. These changes enable more advanced simulations, greater configurability, and a stronger foundation for future features.
January 2025
2 Commits • 1 Features
Jan 1, 2025January 2025 performance summary for deepmodeling/abacus-develop: Strengthened the numeric expression parsing path to increase the reliability of arithmetic evaluation in the modeling engine. Delivered a robust parse_expression enhancement with support for negative numbers and scientific notation, fixed edge-case parsing bugs, and improved input validation. These changes reduce user errors, improve modeling accuracy, and enable more expressive inputs in production.
2 Commits • 1 Features
Jan 1, 2025January 2025 performance summary for deepmodeling/abacus-develop: Strengthened the numeric expression parsing path to increase the reliability of arithmetic evaluation in the modeling engine. Delivered a robust parse_expression enhancement with support for negative numbers and scientific notation, fixed edge-case parsing bugs, and improved input validation. These changes reduce user errors, improve modeling accuracy, and enable more expressive inputs in production.
January 2025
November 2024
1 Commits • 1 Features
Nov 1, 20242024-11 focused on strengthening the accuracy and reliability of the EXX calculation workflow for relaxation and molecular dynamics in deepmodeling/abacus-develop. Refactors addressed proper handling of the istep parameter across the calculation framework, iter_finish, and the EXX LRI interface, boosting robustness and numerical accuracy for simulation campaigns.
November 2024
1 Commits • 1 Features
Nov 1, 20242024-11 focused on strengthening the accuracy and reliability of the EXX calculation workflow for relaxation and molecular dynamics in deepmodeling/abacus-develop. Refactors addressed proper handling of the istep parameter across the calculation framework, iter_finish, and the EXX LRI interface, boosting robustness and numerical accuracy for simulation campaigns.
Activity
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Quality Metrics
Correctness83.8%
Maintainability80.0%
Architecture78.8%
Performance65.0%
AI Usage20.0%
Skills & Technologies
Programming Languages
C++MakefileMarkdownPython
Technical Skills
C++C++ DevelopmentCode RefactoringComputational ChemistryComputational PhysicsFortranHigh-Performance ComputingInput ParsingLinear AlgebraNumerical AnalysisNumerical ComputationNumerical MethodsPythonPython ScriptingQuantum Chemistry
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