/trajectory_estimators

Primary LanguageJupyter NotebookMIT LicenseMIT

Estimating the density of states using nonequilibrium trajectories.

Grant M. Rotskoff & Eric Vanden-Eijnden: arXiv:1809.11132

This code can be used to perform density of states calculations, as described in the arXiv reference above.

Build instructions

Dependencies: armadillo, hdf5, C++-11

Compiling is simple, e.g.,

make quartic

Usage is specified within the run scripts, but is typically

./run [parameters]

Additional potentials can be implemented with header files like quartic.h