This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES).
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41 add runge kutta 4 for population propagation #43
Added Runge Kutta 4 for propagation (Propagate RK4). The method is as for Coupling available for all linear methods and for the coherence times of 2D spectroscopies. The implementation also allows for using the Couplingcut to speed up calculations by throwing away couplings below the cutoff. The RK4 seems to be slightly slower than Coupling, but it converges a bit faster so the Trotter setting for dividing timesteps into smaller pieces (also availble for RK4) may not be needed or larger timesteps can be used.
Added Runge Kutta 4 for propagation (Propagate RK4). The method is as for Coupling available for all linear methods and for the coherence times of 2D spectroscopies. The implementation also allows for using the Couplingcut to speed up calculations by throwing away couplings below the cutoff. The RK4 seems to be slightly slower than Coupling, but it converges a bit faster so the Trotter setting for dividing timesteps into smaller pieces (also availble for RK4) may not be needed or larger timesteps can be used.