菜单
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.
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| name | dqmc-analyze |
| description | 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. |
bin_*.h5 files (completed simulations)(mean, stderr) tuples for each observableBasic 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 | - |
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
| 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 |
Advanced DQMC features including unequal-time measurements, analytic continuation, and queue system internals. Use when enabling dynamical correlations, performing MaxEnt continuation, or understanding HDF5 data structure.
Workflow for modifying DQMC C code, adding new measurements, and running tests. Use when editing source code, implementing new observables, debugging, or validating code changes.
Create HDF5 simulation files for DQMC with specified physical parameters. Use when setting up new simulations, specifying lattice size, interaction strength U, chemical potential mu, temperature (via dt and L), or number of Monte Carlo sweeps.
Set up systematic DQMC parameter studies across temperature, interaction strength U, or chemical potential mu. Use when doing temperature sweeps, phase diagram calculations, or any grid of simulations.
Execute DQMC Monte Carlo sweeps on HDF5 simulation files. Use when running simulations, checkpointing long runs, using the queue system for multiple files, or checking simulation status.