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1. RigidLinearRotor-MDMCHybrid RigidLinearRotor-MDMCHybrid Public

   This code performs rigid body rotations and translations for linear molecules. Rotation sampling is done using Metropolis Path Integral Monte Carlo and translation sampling is done using rejection-…

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2. LindemannCriteria_Calculator LindemannCriteria_Calculator Public

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3. H2-H2O-ForceField H2-H2O-ForceField Public

   This is code which calculates the energies and gradients between a water and point-like hydrogen molecule for use with MMTK.

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4. ITCF ITCF Public

   Calculates the imaginary time correlation function (ITCF) of a water molecule from a path integral molecular dynamics simulation.

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