Lees-Edwards boundary conditions

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Lees-Edwards boundary conditions are an adaptation of standard periodic boundary conditions for molecular dynamics simulations of shear flow [1]. These boundary conditions provide a shear by giving each periodic domain a velocity proportional to the domain's vertical position compared to the center domain. Lees-Edwards BCs typically generate a simple shear flow velocity profile where the local average velocity (within the center periodic domain) is directly proportion to the vertical position. (v_x is directly proportional to y)


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