How-to Guides#

How-to Guides#

How-to guides are goal-oriented. Use them to solve specific problems.

Available How-tos#

Guide

Description

Parse ORCA NEB Calculations

Extract energies and barriers from ORCA NEB

Parse eOn NEB Calculations

Extract data from eOn NEB calculations

Create Publication-quality Figures

NEB, dimer, and minimization plotting tips

Structure#

Each how-to guide follows this structure:

  1. Problem statement

  2. Solution with code examples

  3. Data format (if applicable)

  4. See also links

Getting Help#