Multithreading

rgmol supports partially multithreading.

The multithreading is used for the calculations of transition densities and the diagonalization of kernels.

They speed up a lot the calculations as long as the number of processors is not too high.

The recommended amount would be between 4 and 8.

rgmol.set_nprocs

The maximum number of processors can be set using

rgmol.set_nprocs(5)