insert#

CorrelationsData.insert(self: libcasm.monte.sampling._monte_sampling.CorrelationsData, atom_id: typing.SupportsInt, n_jumps: typing.SupportsInt, position_cart: typing.Annotated[numpy.typing.ArrayLike, numpy.float64, "[m, 1]"], step: typing.SupportsInt, pass: typing.SupportsInt, time: typing.SupportsFloat) → None#

Insert a new position sample for an atom, if the atom has jumped the necessary number of times

Parameters:

  • atom_id (int) – Atom index (corresponds to columns of arrays).

  • n_jumps (int) – Number of times the atom has jumped.

  • position_cart (numpy.ndarray[numpy.float[3]]) – Cartesian coordinates of the atom after the jump.

  • step (int) – Number of steps completed when the atom jumped.

  • pass (int) – Number of passes completed when the atom jumped.

  • time (float) – Simulated time when the atom jumped.