Index

A

Atom (class in popoff.atoms)

atoms_and_bonds_from_structure() (in module popoff.from_structure) AtomType (class in popoff.atom_types)

B

Bond (class in popoff.bonds) bond_string() (popoff.bond_types.BondType method) BondType (class in popoff.bond_types)

buckingham_parameters() (in module popoff.potential_parameters) buckingham_potentials() (in module popoff.potentials) BuckinghamParameter (class in popoff.potential_parameters) BuckinghamPotential (class in popoff.potentials)

C

check_buckingham() (in module popoff.input_checker) check_coreshell() (in module popoff.input_checker) check_scaling_limits() (in module popoff.input_checker)

check_spring() (in module popoff.input_checker) core_shell_string (popoff.atom_types.AtomType property) create_directory() (in module popoff.fitting_output)

E

extract_stresses_and_forces() (in module popoff.fitting_output)

I

input_string() (popoff.atoms.Atom method) (popoff.bonds.Bond method)

M

module popoff popoff.atom_types popoff.atoms popoff.bond_types popoff.bonds popoff.fitting_output popoff.from_structure popoff.input_checker popoff.plotting popoff.potential_parameters popoff.potentials

P

plot_errors() (in module popoff.plotting) plot_forces() (in module popoff.plotting) plot_parameters() (in module popoff.plotting) plot_stresses() (in module popoff.plotting) popoff module popoff.atom_types module popoff.atoms module popoff.bond_types module popoff.bonds module

popoff.fitting_output module popoff.from_structure module popoff.input_checker module popoff.plotting module popoff.potential_parameters module popoff.potentials module potential_string() (popoff.potentials.BuckinghamPotential method)

S

save_data() (in module popoff.fitting_output) setup_error_checks() (in module popoff.input_checker)

setup_error_dict() (in module popoff.plotting) setup_potentials_dict() (in module popoff.plotting)

T

types_from_structure() (in module popoff.from_structure)