pymatgen.entries package

Stub entries from pymatgen-core for backwards compatibility.

Entries are containers for calculated information, which is used in many analyses. This module contains entry related tools and implements the base Entry class, which is the basic entity that can be used to store calculated information. Other Entry classes such as ComputedEntry and PDEntry inherit from this class.

Submodules

pymatgen.entries.compatibility module

Stub compatibility from pymatgen-core for backwards compatibility.

This module implements Compatibility corrections for mixing runs of different functionals.

pymatgen.entries.computed_entries module

Stub computed_entries from pymatgen-core for backwards compatibility.

This module implements equivalents of the basic ComputedEntry objects, which is the basic entity that can be used to perform many analyses. ComputedEntries contain calculated information, typically from VASP or other electronic structure codes. For example, ComputedEntries can be used as inputs for phase diagram analysis.

pymatgen.entries.correction_calculator module

Stub correction_calculator from pymatgen-core for backwargs compatibility.

This module calculates corrections for the species listed below, fitted to the experimental and computed entries given to the CorrectionCalculator constructor.

pymatgen.entries.entry_tools module

Stub entry_tools from pymatgen-core for backwargs compatibility.

This module implements functions to perform various useful operations on entries, such as grouping entries by structure.

pymatgen.entries.exp_entries module

Stub exp_entries from pymatgen-core for backwargs compatibility.

This module defines Entry classes for containing experimental data.

pymatgen.entries.mixing_scheme module

This module implements Compatibility corrections for mixing runs of different functionals.