update_pos

Short description

@author: Moritz F P Becker

pyrid.system.update_pos.update_rb(RBs, Particles, System)

Loops through all volume rigid bead molecules and updates their total force and torque, propagates the rotation quaternion and translation vectors. Adds any unimolecular reaction to reactions list if the next reaction is scheduled for the current time step.

Parameters

RBsobject

Rigid body class instance

Particlesobject

Particles class instance

Systemsobject

System class instance

pyrid.system.update_pos.update_rb_compartments(RBs, Particles, System)

Loops through all volume and surface rigid bead molecules and updates their total force and torque, propagates the rotation quaternion and translation vectors. Adds any unimolecular reaction to reactions list if the next reaction is scheduled for the current time step.

Parameters

RBsobject

Rigid body class instance

Particlesobject

Particles class instance

Systemsobject

System class instance