Bump cifkit to 1.0.2

README.md

@@ -11,28 +11,34 @@ The CIF Bond Analyzer (CBA) is an interactive, command-line-based application
 designed for high-throughput extraction of bonding information from CIF
 (Crystallographic Information File) files. CBA offers Site Analysis, System
 Analysis for binary/ternary systems, and Coordination Analysis. The outputs are
-saved in `.json`, `.xlsx`, and `.png `formats.
+saved in `.json`, `.xlsx`, and `.png`formats. 
 
-The current README.md serves as a tutorial and documentation.
+> The current README.md serves as a tutorial and documentation - last update July 9, 2024
+
+## Demo
+
+The code is designed for interactive use without the need to write any code.
+
+![CBA-demo-gif](https://github.com/bobleesj/cif-bond-analyzer/assets/14892262/fad16f21-93d8-4954-8efe-c04fbc68a9b7)
+
+
+## Scope
+
+Any `.cif` files.
 
 ## Value
 
-CBA simplifies crystal structure analysis by automating the extraction of
+`CBA` simplifies crystal structure analysis by automating the extraction of
 minimum bond lengths, which are crucial for understanding geometric
 configurations and identifying irregularities. Histograms and figures assist in
 identifying distinct bond lengths and structural patterns.
 
-## Demo
 
-The code is designed for interactive use without the need to write any code.
-
-![CBA-demo-gif](https://github.com/bobleesj/cif-bond-analyzer/assets/14892262/fad16f21-93d8-4954-8efe-c04fbc68a9b7)
-
-## Installation and tutorial
+## Getting started
 
 Copy each line into your command-line applications:
 
-```text
+```bash
 $ git clone https://github.com/bobleesj/cif-bond-analyzer.git
 $ cd cif-bond-analyzer
 $ pip install -r requirements.txt
@@ -77,7 +83,7 @@ information.
 
 ### 1. Format files
 
-CBA uses the `CifEnsemble` object from `cifkit` to conduct preprocessing
+CBA uses the `CifEnsemble` object from `cifkit` (https://github.com/bobleesj/cifkit) to conduct preprocessing
 automatically.
 
 - CBA standardizes the site labels in `atom_site_label`. Some site labels may
@@ -388,9 +394,25 @@ python main.py
 - Emil Jaffal
 - Sangjoon Bob Lee
 
-## Questions?
+## How to ask for help
+
+`CBA` is also designed for experimental materials scientists and chemists.
+
+- If you have any issues or questions, please feel free to reach out or
+  [leave an issue](https://github.com/bobleesj/cif-bond-analyzer/issues).
+
+## How to contribute
+
+Here is how you can contribute to the `CBA` project if you found it helpful:
 
-Please feel free to reach out via [email protected] for any questions.
+- Star the repository on GitHub and recommend it to your colleagues who might
+  find `CBA` helpful as well.
+  [![Star GitHub repository](https://img.shields.io/github/stars/bobleesj/cif-bond-analyzer.svg?style=social)](https://github.com/bobleesj/cif-bond-analyzer/stargazers)
+- Fork the repository and consider contributing changes via a pull request.
+  [![Fork GitHub repository](https://img.shields.io/github/forks/bobleesj/cif-bond-analyzer?style=social)](https://github.com/bobleesj/cif-bond-analyzer/network/members)
+- If you have any suggestions or need further clarification on how to use
+  `CBA`, please feel free to reach out to Sangjoon Bob Lee
+  ([@bobleesj](https://github.com/bobleesj)).
 
 ## Changelog
 

requirements.txt

@@ -6,6 +6,6 @@ openpyxl==3.1.2
 pandas==2.2.1
 scipy==1.12.0
 sympy==1.12
-cifkit==1.0.1
+cifkit==1.0.2
 pyvista==0.43.9
 jsondiff==2.0.0