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Build, review, debug, and automate Gaussian quantum chemistry workflows. Use when working with Gaussian input files, Link 0 directives, route sections, charge and multiplicity, basis sets, SCF or opti…
Build, review, debug, and automate GROMACS molecular simulation workflows. Use when working with GROMACS preprocessing, topology and coordinate files, `.mdp` parameters, energy minimization, equilibra…
Create, review, debug, and recover LS-DYNA keyword decks and simulation workflows. Use when working with LS-DYNA `*.k` or `*.key` input files, include trees, explicit crash or impact models, implicit …
Coordinate end-to-end HPC execution workflows across scheduler submission, job monitoring, log tracking, self-healing, and post-processing handoff. Use when a task spans Slurm, PBS, LSF, MPI sizing, q…
Build, review, debug, and automate Quantum ESPRESSO workflows. Use when working with `pw.x` input files, pseudopotentials, k-point setup, SCF/relax/bands workflows, plane-wave cutoffs, occupations, or…
Build, review, debug, and stabilize HPC compiler and build-toolchain workflows. Use when choosing compiler families such as GCC, Clang, or oneAPI; configuring CMake, `find_package`, or toolchain files…
Generate HTML-based presentation slides for academic defense and professional presentations. This skill should be used when users need to create HTML slide pages with a consistent academic design syst…
Author or revise any project document whose primary audience is a HUMAN -- README.md, PLAN.md, per-paper survey notes (notes/survey_*.md), bibliography collection logs (references/_collection_log.md),…
Build, review, debug, and automate Gmsh geometry and meshing workflows. Use when working with `.geo` scripts, the Gmsh Python API, GEO versus OpenCASCADE modeling, physical groups, mesh-size fields, t…
Build, review, debug, and tune hypre-based sparse solver workflows. Use when working with hypre `IJ`, `Struct`, or `SStruct` interfaces, `BoomerAMG`, Krylov solvers, MPI-distributed sparse systems, PE…
Build, review, debug, and launch MPI-based applications across Open MPI, MPICH-family, Intel MPI, MVAPICH2, and scheduler-integrated runtimes. Use when working with `mpirun` or `mpiexec` or `srun`, wr…
Build, review, debug, and automate ParaView post-processing and visualization workflows. Use when working with ParaView readers, filters, color maps, screenshots, state files, pvpython or pvbatch scri…
Build, review, debug, and stabilize Spack-based HPC software stacks. Use when working with Spack specs, variants, compilers, externals, environments, concretization, compiler or MPI matrices, site sta…
Build, review, debug, and tune Trilinos-based solver workflows. Use when working with Trilinos packages such as `Tpetra`, `Epetra`, `Belos`, `Ifpack2`, `Amesos2`, `MueLu`, `Teuchos`, or `Stratimikos`,…
Simplest distributed training API. 4 lines to add distributed support to any PyTorch script. Unified API for DeepSpeed/FSDP/Megatron/DDP. Automatic device placement, mixed precision (FP16/BF16/FP8). I…
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Build, review, debug, and launch CUDA- and GPU-accelerated HPC workflows. Use when working with `nvcc`, host-compiler compatibility, CUDA-aware MPI, rank-to-GPU mapping, `CUDA_VISIBLE_DEVICES`, Slurm …
Generate, review, debug, and recover LAMMPS molecular dynamics input scripts. Use when working with LAMMPS command ordering, data files, force fields, ensembles, neighbor settings, thermo output, or c…
Generate, review, debug, and recover OpenFOAM case files for CFD workflows. Use when working with OpenFOAM dictionaries, case structure, turbulence fields, boundary conditions, decomposition, numerics…
Build, review, debug, and tune PETSc-based solver workflows. Use when working with PETSc `Vec`, `Mat`, `KSP`, `PC`, `SNES`, `TS`, options-database tuning, MPI-distributed assembly, external package in…
Build, review, debug, and automate SU2 CFD workflows. Use when working with SU2 configuration files, mesh and marker definitions, compressible or incompressible solver selection, convergence monitorin…
Build, review, debug, and automate VASP first-principles workflows. Use when working with VASP input sets such as INCAR, POSCAR, KPOINTS, and POTCAR; when choosing SCF, relaxation, static, DOS, or ban…
Fast tokenizers optimized for research and production. Rust-based implementation tokenizes 1GB in <20 seconds. Supports BPE, WordPiece, and Unigram algorithms. Train custom vocabularies, track alignme…
DAG and potential outcomes frameworks for causal mediation identification