dqmc-dev

Code Development

Build & Test

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

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

Smoke Test

After any code change:

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

1. 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
   

2. Implement measurement kernel in src/rc/meas.c

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

   @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