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ECToolkits Reference
Introduction
Analysis
Atom density analysis
Band alignment
Dissociation degree
Acidity calculation
Finite size correction of interfaces
Collective variables of proton transfer reactions
Reweight for free energies and properties
Redox potentials
Plots
Plot DPMD data
Workflows
Workflow: Calculation of Dielectric Constant
References
Bibliography
API Reference
ectoolkits
ectoolkits package
ectoolkits.analysis package
ectoolkits.analysis.acidity module
ectoolkits.analysis.atom_density module
ectoolkits.analysis.band_align module
ectoolkits.analysis.dielectric_constant module
ectoolkits.analysis.disdeg module
ectoolkits.analysis.finite_size_correction module
ectoolkits.analysis.proton_transfer_cv module
ectoolkits.analysis.reweight module
ectoolkits.analysis.rutile110 module
ectoolkits.analysis.uncertainty module
ectoolkits.analysis.water module
ectoolkits.matplotlibstyle package
ectoolkits.plots package
ectoolkits.plots.band_align module
ectoolkits.plots.dpmd module
ectoolkits.structures package
ectoolkits.structures.interface module
ectoolkits.structures.rutile110 module
ectoolkits.structures.slab module
ectoolkits.utils package
ectoolkits.utils.math module
ectoolkits.utils.rutile110 module
ectoolkits.utils.utils module
ectoolkits.utils.vasp module
ectoolkits.log module
Repository
Open issue
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Redox potentials
Contents
Introduction
Usage
Redox potentials
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Introduction
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Under Construction
Usage
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Contents
Introduction
Usage