quemb.molbe.be_parallel

Functions

be_func_parallel(pot, Fobjs, Nocc, solver, ...)	Embarrassingly Parallel High-Level Computation
be_func_parallel_u(pot, Fobjs, solver, enuc)	Embarrassingly Parallel High-Level Computation
run_solver(h1, dm0, scratch_dir, dname, nao, ...)	Run a quantum chemistry solver to compute the reduced density matrices.
run_solver_u(fobj_a, fobj_b, solver, enuc, ...)	Run a quantum chemistry solver to compute the reduced density matrices.