pyfeasst

Python package to analyze FEASST simulations.

Modules:

• accumulator
  • Accumulator
• cd
  • cd
• fstio
  • vector3d_to_list()
  • read_checkpoint()
  • all_sims_complete()
  • slurm_single_node()
  • run_single()
  • run_simulations()
• fstplot
  • val2map()
  • display()
• macrostate_distribution
  • MacrostateDistribution
  • splice()
  • splice_files()
  • read_appended()
  • splice_collection_matrix()
• multistate_accumulator
  • splice_by_max_column()
  • splice_by_node()
• physical_constants
  • ElementaryCharge
  • BoltzmannConstant
  • AvogadroConstant
  • VacuumElectricPermittivity
  • MolarGasConstant
  • ESqPerAngstromToKJPerMol