dqmc-analyze — community dqmc-analyze, community, ide skills

v1.0.0

About this Skill

Perfect for Scientific Computing Agents needing advanced simulation data analysis capabilities with Python Extract physical observables with error estimates from completed DQMC simulations. Use when computing density, double occupancy, spin correlations, structure factors, or any measured quantity from sim

edwnh edwnh
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Updated: 3/7/2026

Killer-Skills Review

Decision support comes first. Repository text comes second.

Reviewed Landing Page Review Score: 9/11

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Original recommendation layer Concrete use-case guidance Explicit limitations and caution Quality floor passed for review Locale and body language aligned
Review Score
9/11
Quality Score
51
Canonical Locale
en
Detected Body Locale
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Perfect for Scientific Computing Agents needing advanced simulation data analysis capabilities with Python Extract physical observables with error estimates from completed DQMC simulations. Use when computing density, double occupancy, spin correlations, structure factors, or any measured quantity from sim

Core Value

Empowers agents to analyze simulation results from directories containing `bin_*.h5` files, providing valuable parameters and statistics using the `dqmc_util` library, and outputting dictionaries with mean and standard error values for observables like 'sign' and 'den'

Ideal Agent Persona

Perfect for Scientific Computing Agents needing advanced simulation data analysis capabilities with Python

Capabilities Granted for dqmc-analyze

Analyzing completed simulations for key observables
Generating statistics for simulation data
Validating simulation results with mean and standard error values

! Prerequisites & Limits

  • Requires `bin_*.h5` files in a directory
  • Limited to simulation data analysis
  • Python environment required

Source Boundary

The section below is imported from the upstream repository and should be treated as secondary evidence. Use the Killer-Skills review above as the primary layer for fit, risk, and installation decisions.

After The Review

Decide The Next Action Before You Keep Reading Repository Material

Killer-Skills should not stop at opening repository instructions. It should help you decide whether to install this skill, when to cross-check against trusted collections, and when to move into workflow rollout.

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FAQ & Installation Steps

These questions and steps mirror the structured data on this page for better search understanding.

? Frequently Asked Questions

What is dqmc-analyze?

Perfect for Scientific Computing Agents needing advanced simulation data analysis capabilities with Python Extract physical observables with error estimates from completed DQMC simulations. Use when computing density, double occupancy, spin correlations, structure factors, or any measured quantity from sim

How do I install dqmc-analyze?

Run the command: npx killer-skills add edwnh/dqmc/dqmc-analyze. It works with Cursor, Windsurf, VS Code, Claude Code, and 19+ other IDEs.

What are the use cases for dqmc-analyze?

Key use cases include: Analyzing completed simulations for key observables, Generating statistics for simulation data, Validating simulation results with mean and standard error values.

Which IDEs are compatible with dqmc-analyze?

This skill is compatible with Cursor, Windsurf, VS Code, Trae, Claude Code, OpenClaw, Aider, Codex, OpenCode, Goose, Cline, Roo Code, Kiro, Augment Code, Continue, GitHub Copilot, Sourcegraph Cody, and Amazon Q Developer. Use the Killer-Skills CLI for universal one-command installation.

Are there any limitations for dqmc-analyze?

Requires `bin_*.h5` files in a directory. Limited to simulation data analysis. Python environment required.

How To Install

  1. 1. Open your terminal

    Open the terminal or command line in your project directory.

  2. 2. Run the install command

    Run: npx killer-skills add edwnh/dqmc/dqmc-analyze. The CLI will automatically detect your IDE or AI agent and configure the skill.

  3. 3. Start using the skill

    The skill is now active. Your AI agent can use dqmc-analyze immediately in the current project.

Upstream Repository Material

The section below is imported from the upstream repository and should be treated as secondary evidence. Use the Killer-Skills review above as the primary layer for fit, risk, and installation decisions.

Upstream Source

dqmc-analyze

Install dqmc-analyze, an AI agent skill for AI agent workflows and automation. Review the use cases, limitations, and setup path before rollout.

SKILL.md
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Upstream Repository Material
The section below is imported from the upstream repository and should be treated as secondary evidence. Use the Killer-Skills review above as the primary layer for fit, risk, and installation decisions.
Supporting Evidence

Analyze Results

Inputs

  • Directory containing bin_*.h5 files (completed simulations)
  • Observable names (see table below)

Outputs

  • Dictionary with parameters and (mean, stderr) tuples for each observable

Procedure

Basic analysis:

python
1from dqmc_util import analyze_hub 2 3data = analyze_hub.get("data/run/", "sign", "den", "zzr") 4 5print(f"sign = {data['sign'][0]:.4f} +/- {data['sign'][1]:.4f}") 6print(f"density = {data['den'][0]:.4f} +/- {data['den'][1]:.4f}")

Available observables:

NameDescriptionRequires
signFermion sign-
denDensity <n>-
doccDouble occupancy <n_up n_down>-
gr, gkGreen's function (real/k-space)-
nnr, nnqDensity correlator / structure factor-
zzr, zzqSpin-z correlator / structure factor-
xxrSpin-x correlator-
swq0S-wave pair structure factor-
nnrw0, zzrw0Zero-freq susceptibilitiesperiod_uneqlt > 0
dwq0tD-wave pair susceptibilityperiod_uneqlt > 0

Collect from multiple directories:

python
1import os 2 3def collect_results(base_dir, observables): 4 results = [] 5 for subdir in sorted(os.listdir(base_dir)): 6 path = os.path.join(base_dir, subdir) 7 if os.path.isdir(path): 8 try: 9 results.append(analyze_hub.get(path + "/", *observables)) 10 except Exception as e: 11 print(f"Skipping {path}: {e}") 12 return results

Compute derived quantities:

python
1# Magnetic moment squared from spin correlator 2path = "data/run/" 3data = analyze_hub.get(path, "zzr") 4mz2 = 4 * data["zzr"][0][0, 0] # [0] = mean, shape (Ny, Nx) 5mz2_err = 4 * data["zzr"][1][0, 0] # [1] = stderr

Validation

  • Errorbar on sign is significantly less than mean. Otherwise, sign problem is too severe.
  • Errorbars on observable are reasonable (not >> mean)

Failure Modes

SymptomCauseRecovery
KeyError for observableObservable not computedCheck period_uneqlt setting
"No files found"Wrong path or no bin_*.h5Verify directory structure
Large error barsInsufficient statisticsRun more sweeps or bins

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