Claude-skill-registry dqmc-analyze

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 simulation data.

install

source · Clone the upstream repo

git clone https://github.com/majiayu000/claude-skill-registry

Claude Code · Install into ~/.claude/skills/

T=$(mktemp -d) && git clone --depth=1 https://github.com/majiayu000/claude-skill-registry "$T" && mkdir -p ~/.claude/skills && cp -r "$T/skills/data/dqmc-analyze" ~/.claude/skills/majiayu000-claude-skill-registry-dqmc-analyze && rm -rf "$T"

manifest: skills/data/dqmc-analyze/SKILL.md

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:

from dqmc_util import analyze_hub

data = analyze_hub.get("data/run/", "sign", "den", "zzr")

print(f"sign = {data['sign'][0]:.4f} +/- {data['sign'][1]:.4f}")
print(f"density = {data['den'][0]:.4f} +/- {data['den'][1]:.4f}")

Available observables:

Name	Description	Requires
`sign`	Fermion sign	-
`den`	Density <n>	-
`docc`	Double occupancy <n_up n_down>	-
`gr` , `gk`	Green's function (real/k-space)	-
`nnr` , `nnq`	Density correlator / structure factor	-
`zzr` , `zzq`	Spin-z correlator / structure factor	-
`xxr`	Spin-x correlator	-
`swq0`	S-wave pair structure factor	-
`nnrw0` , `zzrw0`	Zero-freq susceptibilities	`period_uneqlt > 0`
`dwq0t`	D-wave pair susceptibility	`period_uneqlt > 0`

Collect from multiple directories:

import os

def collect_results(base_dir, observables):
    results = []
    for subdir in sorted(os.listdir(base_dir)):
        path = os.path.join(base_dir, subdir)
        if os.path.isdir(path):
            try:
                results.append(analyze_hub.get(path + "/", *observables))
            except Exception as e:
                print(f"Skipping {path}: {e}")
    return results

Compute derived quantities:

# Magnetic moment squared from spin correlator
path = "data/run/"
data = analyze_hub.get(path, "zzr")
mz2 = 4 * data["zzr"][0][0, 0]       # [0] = mean, shape (Ny, Nx)
mz2_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

Symptom	Cause	Recovery
KeyError for observable	Observable not computed	Check `period_uneqlt` setting
"No files found"	Wrong path or no `bin_*.h5`	Verify directory structure
Large error bars	Insufficient statistics	Run more sweeps or bins