pytc.vmc.test.test_ham

Classes

TestHamiltonian
TestHamiltonianGrad
TestJastrowTermsCompositeLengthMismatch	A CompositeJastrow/params length mismatch must raise, not silently truncate via zip() and return a wrong (partial) energy.
TestJastrowTermsPolymorphicDispatch	BoysHandyAnalytical's get_pair_grid_grad_lap override (the fast whole-electron-set path) must give bit-identical full-E_L results to the Jastrow base class's default per-pair implementation (inherited unchanged by generic BoysHandy), on multi-type systems with the same CompositeJastrow (NuclearCusp + BH) structure production uses.
TestMemoryUsage