You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
This repository contains scripts and resources to download, install, and use **Perple_X** to generate and read a low-resolution thermodynamic table for an iron-olivine system. It can be used as a template to
4
+
create and read your own tables.
5
+
6
+
## Contents
7
+
8
+
-**download_and_install_perplex.sh**
9
+
A shell script to automatically download and install Perple_X in the local directory.
10
+
11
+
-**create_lo_res_table.py**
12
+
A Python script to generate a low-resolution thermodynamic table using Perple_X. This script calls Perple_X programs and configures the run for a simplified system.
13
+
14
+
-**read_lo_res_table.py**
15
+
A Python script to read and parse the generated low-resolution table (e.g., from `table.txt`) for further analysis or plotting.
16
+
17
+
18
+
## Getting Started
19
+
20
+
1.**Install Perple_X:**
21
+
22
+
```bash
23
+
./download_and_install_perplex.sh
24
+
```
25
+
26
+
This will download the latest Perple_X release and compile it locally.
27
+
28
+
2.**Create the Thermodynamic Table:**
29
+
30
+
```bash
31
+
python create_lo_res_table.py
32
+
```
33
+
34
+
This will use Perple_X to generate the low-resolution table in a newly created project directory.
35
+
36
+
3.**Read and Analyze the Table:**
37
+
38
+
```bash
39
+
python read_lo_res_table.py
40
+
```
41
+
42
+
This script parses the output table for further use (e.g., plotting or machine learning workflows).
43
+
44
+
## Notes
45
+
46
+
- This setup is designed for educational or rapid prototyping use; the resolution and thermodynamic scope are intentionally simplified.
47
+
- Make sure to review Perple_X license and citation guidelines when using in published work.
0 commit comments