pytc.jastrow.dtn.gen_een_terms

pytc.jastrow.dtn.gen_een_terms(max_een_degree, init_val=1e-05)[source]

Generate EEN terms systematically up to a given max degree.

Generates all DTNTermEEN(n, l, m) satisfying:
  • n >= 2, l >= m >= 2 (to strictly preserve unconstrained e-e and e-n cusps)

  • max(n, l, m) <= max_een_degree

Parameters:
  • max_een_degree (int) – Maximum value allowed for any individual power index n, l, or m.

  • init_val (float) – Initial coefficient value for all generated terms.

Returns:

List of DTNTermEEN instances, ordered by (n, l, m).