From c79ec6b8646e4ed07edbf2ca81e675086428ccc3 Mon Sep 17 00:00:00 2001 From: hprats Date: Thu, 7 Nov 2024 23:08:31 +0000 Subject: [PATCH] Updated Key Features --- README.md | 2 +- docs/source/index.md | 13 +++++++------ 2 files changed, 8 insertions(+), 7 deletions(-) diff --git a/README.md b/README.md index fd12d97..341bc4f 100644 --- a/README.md +++ b/README.md @@ -18,7 +18,7 @@ ZacrosTools is a versatile toolkit designed to simplify the preparation of **[Za - [License](#license) - [Contributors](#contributors) -## Features +## Key Features - **Automatic input file generation**: Simplify the creation of Zacros input files, reducing the risk of errors and speeding up the setup process. - **Output file parsing**: Easily read, analyze and process data from Zacros output files. diff --git a/docs/source/index.md b/docs/source/index.md index 9a6445f..0c6f129 100644 --- a/docs/source/index.md +++ b/docs/source/index.md @@ -4,12 +4,13 @@ Welcome to the ZacrosTools documentation! This guide provides comprehensive info ZacrosTools is a versatile toolkit designed to simplify the preparation and analysis of Kinetic Monte Carlo (KMC) simulations with **[Zacros](https://zacros.org/)**. -### Key Features: -- **User-friendly:** Simplifies the creation, execution, and analysis of Zacros simulations with intuitive Python functions and classes. -- **Automated Input Generation:** Generates Zacros input files for pressure or temperature scans, reducing the risk of errors and speeding up the setup process. -- **Result Analysis Tools:** Provides powerful tools for analyzing Zacros simulation outputs, including multiple plotting functions. -- **Extensibility:** Easily integrates with other Python libraries and tools, enabling seamless incorporation into broader computational workflows. -- **Documentation and Examples:** Extensive documentation is available, including detailed examples to help users quickly get started and make the most of ZacrosTools. +## Key Features + +- **Automatic input file generation**: Simplify the creation of Zacros input files, reducing the risk of errors and speeding up the setup process. +- **Output file parsing**: Easily read, analyze and process data from Zacros output files. +- **Pressure and temperature scans**: Streamline the process of performing scans over different pressures and temperatures. +- **Customizable workflows**: Create customised workflows to fit specific simulation needs. +- **Documentation and examples:** Extensive documentation is available, including detailed examples to help users quickly get started and make the most of ZacrosTools.
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