At the moment, from what I understood, the transport coefficient stores in a data-member the thermodynamics of the particle and then uses it to compute the transport coefficients. This is a problem for parallel processing because the thread dealing with particle j would see the thermodynamic properties of particle i.
The solution is to refactor the class so the function accepts a pointer for the array of thermodynamic values.
At the moment, from what I understood, the transport coefficient stores in a data-member the thermodynamics of the particle and then uses it to compute the transport coefficients. This is a problem for parallel processing because the thread dealing with particle
jwould see the thermodynamic properties of particlei.The solution is to refactor the class so the function accepts a pointer for the array of thermodynamic values.