dqmc-dev

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.

Stars 163

Forks 31

Install this agent skill to your Project

npx add-skill https://github.com/majiayu000/claude-skill-registry/tree/main/skills/development/dqmc-dev

SKILL.md

Code Development

Build & Test

bash

# Build
make               # -> build/dqmc
make clean         # remove build/

# Test
cd test && make && ./test_greens

Smoke Test

After any code change:

bash

dqmc-util gen Nx=4 Ny=4 U=4 dt=0.1 L=20 n_sweep_warm=50 n_sweep_meas=100
build/dqmc sim_0.h5
dqmc-util summary sim_0.h5

Adding New Measurements

Add to X-macro list in src/rc/sim_types.h:

// Add to MEAS_EQLT_LIST (or MEAS_UNEQLT_LIST for unequal-time)
#define MEAS_EQLT_LIST \
    /* ... */ \
    X(my_meas, num_ij)  // pick an appropriate size expression

Implement measurement kernel in src/rc/meas.c

Add analysis function in dqmc_util/analyze_hub.py (and update reshaping/symmetrization if needed):

python

@observable(
    description="my new observable",
    requires=("meas_eqlt/n_sample", "meas_eqlt/sign", "meas_eqlt/my_meas"),
)
def _my_meas(ctx):
    return core.jackknife_noniid(
        ctx.data["meas_eqlt/n_sample"],
        ctx.data["meas_eqlt/sign"],
        ctx.data["meas_eqlt/my_meas"],
    )

Key Code Patterns

Dual compilation: Files in src/rc/ compile twice. Use RC(name) macro for real/complex dispatch.

Memory: Use my_calloc() for 64-byte aligned allocations.

Profiling: Wrap with profile_begin(name) / profile_end(name).

Definition of Done

make succeeds without warnings
cd test && make && ./test_greens passes
Smoke run completes
If touching measurements: verify via dqmc-util summary