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ECToolkits Reference

Introduction

Analysis

Atom density analysis
Band alignment
Dissociation degree analysis
Acidity calculation
The finite size correction of interfaces
Redox potentials

Plots

Plot DPMD Test Data

Workflows

Workflow: Calculation of Dielectric Constant

References

Bibliography

API Reference

ectoolkits
- ectoolkits package

Repository
Open issue

.md

Introduction

Contents

Introduction
Analysis

Introduction#

ElectroChemical Toolkits(ECToolkits), the package to calculate electrochemical results from atomistic simulations.

pythonv pypiv

Analysis#

Atomic/Water Density
Band Alignment
Acidity Calculation
Redox Potential Calculation
Finite Size Correction

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Atom density analysis

Contents

Introduction
Analysis

By Yong-Bin Zhuang

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