mdpy.core.Ensemble#

class mdpy.core.Ensemble(topology: Topology, pbc_matrix: ndarray, is_use_tile_list=True)[source]#
__init__(topology: Topology, pbc_matrix: ndarray, is_use_tile_list=True) → None[source]#

Methods

__init__(topology, pbc_matrix[, ...])

add_constraints(*constraints)

update_constraints()

update_tile_list()

Attributes

constraints

forces

kinetic_energy

num_constraints

potential_energy

state

tile_list

topology

total_energy