DNPSOUP: a numerical simulation software for dynamic nuclear polarization.
DNPSOUP (Dynamic Nuclear Polarization Simulation Optimized with a Unified Propagator), employs a novel analytical theory to treat the time evolution of density operator under the effect of both coherent Hamiltonians and stochastic relaxation effect. Such an approach makes easy the aggregation of DNP pulse sequence components. This facilitated separating the underlying quantum mechanical calculations from simulation settings, resulted in both an intuitive user interface and straightforward customization.
DNPSOUP is a command-line software written in C++. It accepts JSON input and generates plaintext results. A graphical user interface is also provided to assist input file generation.
Link to the software: https://gitlab.com/chen.yang/dnpsoup