# Getting PyExoCross Program

## Download PyExoCross

Download PyExoCross from [GitHub](https://github.com/Beryl-Jingxin/PyExoCross.git "GitHub").

```bash
git clone https://github.com/Beryl-Jingxin/PyExoCross.git
```

## Install Python packages

```bash
pip install -r requirements.txt
```

## Run PyExoCross

Prepare an input file *filename.inp* (see examples in the 'input' folder on GitHub) and run the program with command:

```bash
python run.py -p input_filepath
```

*Example*

If the input filepath is `/home/username/PyExoCross/input/H2O_exomol.inp`.

```bash
python run.py -p ./input/H2O_exomol.inp
# OR 
python run.py -p /home/username/PyExoCross/input/H2O_exomol.inp
```

If you want to run program in conda environment which is named as 'exomol', please use command:

```bash
/home/username/anaconda3/envs/exomol/bin/python run.py -p ./input/H2O_exomol.inp
```

If you need to run program in background, please use command:

```bash
# Recommended: Without log file (the program will record log automatically)
nohup python -u run.py -p ./input/H2O_exomol.inp > /dev/null 2>&1
# Save log file
nohup python -u run.py -p ./input/H2O_exomol.inp > ./output/H2O_exomol.out 2>&1 &
# OR 
nohup /home/username/anaconda3/envs/exomol/bin/python -u run.py -p ./input/H2O_exomol.inp > ./output/H2O_exomol.out 2>&1 &
```

## Notes for input file

All information can be written in the input file. Just change the information you will use.You don't need to change any other unnecessary information.Please do not change the first column strings.