We detail our computational workflow and implementation, including a linear extrapolation scheme for determining the sign of the NAC vector. Computational timings are presented for two NAMD benchmark systems. The first system is fulvene solvated in acetonitrile, where we show a linear scaling in compute time as we increase the amount of solvent included in the electronic structure calculations and we show the performance of the code over one and two GPU nodes. The second benchmark system is a zinc-phthalocynanine donor face-on with a fullerene acceptor. show the state occupations during the course of a single LSC NAMD trajectory, which shows population transfer from the locally excited bright state to lower energy dark charge transfer states over 25 fs. The corresponding timings show that the computation of the NAC vectors between excited states takes up a large portion of the total compute time. Moving forward we will explore new and more efficient approaches to compute the NAC, further increasing the capability of LSC NAMD simulations that can provide insights into complex excited state molecular phenomena in the condensed phase on an ultrafast timescale.