pytc.jastrow.test.test_bha_benchmarkΒΆ
Benchmark-style comparisons for Boys-Handy implementations.
These tests are intended to make the performance delta between the original
autodiff BoysHandy and BoysHandyAnalytical visible on the local
machine. They print timings and verify numerical agreement, but keep runtime
bounded by benchmarking the core compute_jastrow_terms hotspot directly.
These benchmarks are skipped by default in the normal unit-test suite because they build and SCF-solve large PySCF systems (H20, H40) and can take several minutes. To run them, set the environment variable:
PYTC_RUN_BENCHMARKS=1 python -m pytest pytc/jastrow/test/test_bha_benchmark.py
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