# Command-Line Interface (CLI) In addition to its Python library, `VacHopPy` provides a powerful Command-Line Interface (CLI) to perform key tasks directly from your terminal. This allows you to run analyses quickly without writing custom scripts. The general command structure is: ```bash vachoppy [options] ```` ----- ## Available Commands To see a list of all available commands and their brief descriptions, use the `-h` or `--help` option: ```bash vachoppy -h ``` Here is a summary of the main commands available:
| Command | Description | |---|---| | `trajectory` | Identify and visualize vacancy trajectories from a single trajectory file. | | `analyze` | Extract hopping parameters from an ensemble of trajectories. | | `vibration` | Extract atomic vibration frequency from a single trajectory. | | `distance` | Trace change in cosine distance from a reference structure over time. | | `fingerprint` | Calculate and plot the fingerprint for a single static structure. | | `msd` | Calculate diffusivity from mean squared displacement (Einstein relation). | | `convert` | Convert various MD trajectory formats to the standard HDF5 format. | | `concat` | Concatenate two successive HDF5 trajectory files into a new one. | | `cut` | Cut a portion of a HDF5 file and saves it as a new file. | | `show` | Display a metadata summary of a HDF5 trajectory file. |
----- ## Getting Help for a Specific Command Each command has its own set of specific options and arguments. You can view the detailed help for any command by adding `-h` after the command name. For example, to see all options for the `trajectory` command, run: ```bash vachoppy trajectory -h ```