Codes/Software

Cavity on-the-fly (CavOTF) 

Allows performing cavity molecular dynamics simulations on-the-fly. Uses Density Functional Tight-Binding (DFTB) approach and uses DFTB+ for propagating the molecular part.  

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Semiclassical Quantum Dynamics (SQD)

Code for performing Semi-Classical Quantum Dynamics. The methods that are implimented in this code are : PLDM, spin-PLDM, spin-LSC, MFE, various SQC, MASH, and N-RPMD.

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