pytc.vmc.test.test_jastrow_terms_finite_diff¶
Finite-difference safety-net test for compute_jastrow_terms.
This test pins grad_J_over_J and lap_J_over_J against central finite differences of the total Jastrow exponent U. It is the contract that every Jastrow refactor must preserve.
- Math:
U(r1..rN) = 0.5 * sum_{i!=j} u(r_i, r_j) grad_J_over_J[k] = dU/d(r_k) lap_J_over_J[k] = d²U/d(r_k)² + |dU/d(r_k)|²
Uses a SimplePoly Jastrow (u = a*|r1-r2|²) with well-defined derivatives everywhere, exercising the folx-based base-class get_log_grads_r1 path. Finite-difference reference computed in float64 via numpy.
Classes