Pulls and manipulates dipole moment vector. Allows for use of several substructures.

Usage

dip.gaussian.multi(
  coor_atoms = "",
  center_of_mass = F,
  center_of_mass_substructure = F,
  subunits_inputs_vector = NULL
)

coor_atoms: 3 or 4 atoms character (e.g. '1 2 3')
center_of_mass: logical, should use center of mass of the basic structure as origin or not, if TRUE - center_of_mass_substructure must be FALSE
center_of_mass_substructure: logical, should use center of mass of a substructure as origin or not, if TRUE - center_of_mass must be FALSE
subunits_inputs_vector: ONLY if center_of_mass_substructure is TRUE - vector of atoms character (e.g. c('10 11 12 13', '4 5 6 7 8 9'))

data frame with multiple or single DMs