narupatools.lammps.exceptions

Custom exceptions that wrap LAMMPS output.

Exceptions

AtomIDsNotDefinedError(func_name)

Error raised when gather/scatter commands are used without atom ids.

CannotOpenFileError

Error raised when a file is not found by LAMMPS.

ComputeNotFoundError(key)

Error raised when a compute is requested which is not defined.

FixNotFoundError(key)

Error raised when a fix is requested which is not defined.

GlobalNotFoundError(key)

Error raised when a global is requested which is not defined.

IllegalCommandError

Error raised when a command is used incorrectly in LAMMPS.

InvalidComputeSpecificationError(key, style, …)

Error raised when a compute is requested where the types are not defined.

InvalidThermoKeywordError

Error raised when an invalid thermo keyword is specified.

LAMMPSError

Error raised by LAMMPS.

LAMMPSWarning

Warning raised by LAMMPS.

MissingInputScriptError

Error raised when a file is not found by LAMMPS.

SettingNotFoundError(key)

Error raised when a setting is requested which is not defined.

UnknownAtomPropertyError(key)

Error raised when gather_atoms is used to get a property which does not exist.

UnknownCommandError

Error raised when an unknown command is used in LAMMPS.

UnknownPropertyNameError

Error raised when lammps_gather_atoms encounters an unknown property name.

UnrecognizedStyleError

Error raised when a style not recognized by LAMMPS is used.

UntestedVersionWarning

Warning raised when a version of LAMMPS is used that may not be supported.

VariableNotFoundError(key)

Error raised when a variable is requested which is not defined.