Python package to analyze FEASST simulations.
Modules:
Accumulator
cd
vector3d_to_list()
read_checkpoint()
all_sims_complete()
slurm_single_node()
run_single()
run_simulations()
val2map()
display()
MacrostateDistribution
splice()
splice_files()
read_appended()
splice_collection_matrix()
splice_by_max_column()
splice_by_node()
ElementaryCharge
BoltzmannConstant
AvogadroConstant
VacuumElectricPermittivity
MolarGasConstant
ESqPerAngstromToKJPerMol