mdpy.core.State#

class mdpy.core.State(topology: Topology, pbc_matrix: ndarray)[source]#
__init__(topology: Topology, pbc_matrix: ndarray) → None[source]#

Methods

__init__(topology, pbc_matrix)

set_pbc_matrix(pbc_matrix)

set_positions(positions)

set_velocities(velocities)

set_velocities_to_temperature(temperature)

Attributes

device_half_pbc_diag

device_pbc_diag

device_pbc_matrix

half_pbc_diag

matrix_shape

pbc_diag

pbc_matrix

positions

sorted_positions

velocities