besmarts.core namespace

Submodules

• besmarts.core.array_numpy module
  • b_matrix()
  • bmatrix()
  • bmatrix_angles()
  • bmatrix_bonds()
  • bmatrix_dense()
  • bmatrix_ic()
  • bmatrix_outofplanes()
  • bmatrix_pairs()
  • bmatrix_torsions()
  • dlc_matrix()
  • dlcmatrix()
  • dlcmatrix_project_gradients()
  • g_matrix()
  • ginverse()
  • gradient_cartesian_to_internal_array()
  • gradient_cartesian_to_internal_matrix()
  • project_gradient()
  • project_hessian()
  • transform()
  • transform_dlcs()
  • transform_v2()
  • transform_v3()