GrandFEP API

Contents:

• sampler
  • BaseGrandCanonicalMonteCarloSampler
  • NoneqGrandCanonicalMonteCarloSampler
  • NoneqGrandCanonicalMonteCarloSampler
• utils
  • find_reference_atom_indices()
  • load_sys()
  • load_top()
  • random_rotation_matrix()
  • random_rotation_matrix_protoms()