feat: updates README file with command line arguments

README.md

@@ -1,7 +1,7 @@
 # RSHtune
 
 
-### Installation
+## Installation
 In order to be able to use this library, add the following to your `.bashrc` file:
 ```bash
 export PYTHONPATH=$PYTHONPATH:<path/to/RSHtune>
@@ -11,14 +11,27 @@ The Makefile included with the package will both do this and source the modified
 make install
 ```
 
-### Basic Usage
+## Basic Usage
 The `driver.py` file provides a interface for the three most common taskt in tuning an RSH functional:
 
 - Run a single tuning calculation (neutral, anion, cation) at a given range separation parameter value, omega, and calculate the optimal tuning error.
 - Run a series of tuning calculations over a range of values for omega and tabulate the optimal tuning error for each.
 - Tabulate the optimal tuning error values based on prior calculations, already present in a given directory.
 
-### License
+## Command Line Arguments
+
+| Argument        | Required | Function   |
+|:----------------|:--------:|:-----------|
+| `--inputFile`     | yes      | Input file for the neutral species. Note: respects `--dir`. |
+| `--dir`          | no       | Directory in which to carry out tuning, store and locate files. |
+| `--dry`          | no       | Tabulate preexisting tuning results only, no calculations. |
+| `--omega`        | no       | Carry out a single tuning calculation at omega. |
+| `--omegaRange`    | no       | Tune over a range of values for omega. Conflicts with `--omega`!|
+| `--numThreads`    | no       | Number of threads to run QChem with. Default: 1 |
+| `--multiplicities` | no       | Specify spin-multiplicities: neutral anion cation |
+
+
+## License
 **Copyright 2003 Maximilian Saller**
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the “Software”), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: