insert#

CorrelationsData.insert(self: libcasm.monte.sampling._monte_sampling.CorrelationsData, atom_id: int, n_jumps: int, position_cart: numpy.ndarray[numpy.float64[m, 1]], step: int, pass: int, time: float) → 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.