Plugin full

Apa yang ada di dalam full

23 bagian dibaca dari file asli plugin tersebut.

Skill dalam full

1. 
   benchmark-and-mms-plannerHeshamFS/materials-simulation-skills

   Design verification and validation plans for simulation codes using manufactured solutions, benchmarks, and refinement protocols.

   5 file
   83bintang
2. 
   convergence-studyHeshamFS/materials-simulation-skills

   Performs spatial and temporal convergence analysis using Richardson extrapolation and Grid Convergence Index (GCI) calculations.

   10 file
   83bintang
3. 
   differentiation-schemesHeshamFS/materials-simulation-skills

   Select and apply numerical differentiation schemes for PDE and ODE discretization, including stencil generation and truncation error estimation.

   10 file
   83bintang
4. 
   fair-simulation-packagerHeshamFS/materials-simulation-skills

   Creates reproducibility manifests for materials simulations by collecting file inventories, hashes, units, and metadata.

   10 file
   83bintang
5. 
   hpc-runtime-doctorHeshamFS/materials-simulation-skills

   Diagnoses HPC runtime and scheduler problems for materials simulations by analyzing resource layouts, environment consistency, and failure symptoms.

   5 file
   83bintang
6. 
   linear-solversHeshamFS/materials-simulation-skills

   Selects and configures linear solvers for Ax=b systems, analyzes matrix conditioning, and diagnoses convergence issues in numerical simulations.

   14 file
   83bintang
7. 
   md-analysis-plannerHeshamFS/materials-simulation-skills

   Plans molecular dynamics post-processing workflows by determining required data, equilibration checks, and PBC handling for materials simulations.

   5 file
   83bintang
8. 
   mesh-generationHeshamFS/materials-simulation-skills

   Plan and evaluate mesh resolution and quality for numerical simulations using physics-based scaling and geometric metrics.

   7 file
   83bintang
9. 
   nonlinear-solversHeshamFS/materials-simulation-skills

   Selects and configures nonlinear solvers for root-finding, optimization, and least-squares problems while diagnosing convergence and Jacobian quality.

   13 file
   83bintang
10. 
    numerical-integrationHeshamFS/materials-simulation-skills

    Selects and configures time integration methods for ODE and PDE simulations, including adaptive step-size control and IMEX operator splitting.

    14 file
    83bintang
11. 
    numerical-stabilityHeshamFS/materials-simulation-skills

    Analyzes numerical stability for time-dependent PDE simulations using CFL, Fourier, and von Neumann criteria to recommend time-stepping schemes.

    12 file
    83bintang
12. 
    ontology-explorerHeshamFS/materials-simulation-skills

    Parse, navigate, and query materials science ontology structures like CMSO and ASMO to explore class hierarchies and property definitions.

    14 file
    83bintang
13. 
    ontology-mapperHeshamFS/materials-simulation-skills

    Maps materials science terms, crystal structures, and sample descriptions to standardized ontology classes like CMSO and ASMO.

    13 file
    83bintang
14. 
    ontology-validatorHeshamFS/materials-simulation-skills

    Validates material sample annotations against ontology constraints including class names, property existence, domain/range consistency, and completeness.

    9 file
    83bintang
15. 
    parameter-optimizationHeshamFS/materials-simulation-skills

    Provides a workflow for designing experiments, ranking parameter influence, and selecting optimization strategies for simulation calibration.

    11 file
    83bintang
16. 
    performance-profilingHeshamFS/materials-simulation-skills

    Analyzes computational bottlenecks, parallel scaling, and memory requirements for materials science simulations to provide optimization recommendations.

    15 file
    83bintang
17. 
    post-processingHeshamFS/materials-simulation-skills

    Extract, analyze, and summarize simulation output data through field extraction, statistical analysis, and derived quantity computation.

    20 file
    83bintang
18. 
    simulation-failure-triageHeshamFS/materials-simulation-skills

    Classifies simulation failure signatures for scientific codes and proposes a controlled, one-change-at-a-time retry strategy.

    5 file
    83bintang
19. 
    simulation-orchestratorHeshamFS/materials-simulation-skills

    Orchestrate multi-simulation campaigns by generating parameter sweeps, tracking batch job execution, and aggregating results with summary statistics.

    25 file
    83bintang
20. 
    simulation-validatorHeshamFS/materials-simulation-skills

    Validates materials simulations through pre-flight configuration checks, runtime log monitoring, and post-flight result verification.

    16 file
    83bintang
21. 
    slurm-job-script-generatorHeshamFS/materials-simulation-skills

    Generates correct sbatch job scripts and validates HPC resource requests like MPI tasks, OpenMP threads, memory, and GPU configurations.

    5 file
    83bintang
22. 
    time-steppingHeshamFS/materials-simulation-skills

    Plan and control time-step policies, output intervals, and checkpoint cadences for transient simulations to ensure stability and minimize lost work.

    9 file
    83bintang
23. 
    workflow-engine-mapperHeshamFS/materials-simulation-skills

    Maps computational materials science tasks to appropriate workflow engines like AiiDA, atomate2, or jobflow based on scale and requirements.

    5 file
    83bintang