Python for Hyades - PyHy

This repository is a Python wrapper for the Hyades hydrocode. The primary goal of this repository is lower the barrier to entry of the Hyades hydrocode by automating the tedious parts of the most common uses including creating input files, running the simulation, organizing the outputs, visualizing the inputs and outputs, and fitting Hyades velocities to experimental measurements.

Some aspects of Hyades were deliberately left out, and the user does not have control over every aspect of Hyades inputs and outputs. This repository is supposed to make the basics very easy, not completely replace the Hyades command line interface.

This repository assumes the user has familiarity with Hyades simulations and basic terminal usage. Little to no Python knowledge is required.

Developed by Connor Krill et al. under the Wicks Lab at Johns Hopkins University.
First Published: December 2021
Last Updated: February 2022

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Requirements & Set Up

This repository was written on Python version 3.7.6 and requires Python 3. It uses several additional Python packages, all of which are listed under pyhy/requirements.txt. To install all packages at once, navigate to the PyHy repository in terminal and use the command pip install -r requirements.txt. This will attempt to install compatible versions of all required packages if they are not already present on your machine.

This repository should work on all operating systems and was tested on a MacOS installation of Hyades.

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GUIs for:

Creating Inputs

inf_GUI.py is a GUI to help create the input files for Hyades. Gives user easy control over many, but not all, options for Hyades input.

Use:

• Launch the GUI from terminal with the command python inf_GUI.py
• Set the simulation parameters, such as length of the simulation and time step in the output.
• Input the number of layers and click generate layers. This will bring up more settings to be specified for each layer.
• Set the Pressure, Temperature, and/or Laser drives by specifying the two-column text file to be used. Examples of inputs can be found under pyhy/data/tvInputs
• Click the button to write the file, which will be created in pyhy/data/inf by default. You do not need Hyades installed for the Write Inf button to work.
• Click the button to run Hyades. You must have Hyades installed locally for the Run Hyades button to work.

To add or remove a material as an option from the inf_GUI, edit the excel spreadsheet pyhy/tools/inf_GUI_materials.xlsx. Follow the formatting (using comma separated entries for materials with multiple elements) used in existing columns.

Viewing Data

view_hyades_GUI.py is a GUI to explore the output of a Hyades simulation. Launch it with python view_hyades_GUI.py and use the onscreen buttons to load a file and view different variables. There are options for viewing lineouts, creating simple animations, and saving data. See the section on Plotting Hyades under Command Line Interfaces for more graphics. The options to save static figures and export a .csv of the data on screen are built into the GUI. Saving animations requires ffmpeg installed.

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Command Line Interfaces for:

Running Hyades

run_hyades.py is a command line interface to run multiple Hyades simulations.
Run python run_hyades.py in terminal to run all simulations and neatly format the output for all .inf files in pyhy/data/inf. See python run_hyades.py --help for more details and examples.

Plotting Hyades

plot.py is a command line interface to plot common types of Hyades graphics. It can create many different static graphics, such as XT Diagrams, diagrams of the target design, and/or a plot of the shock velocity. Please note the shock velocity function is only designed for shock simulations and may not yield useful results for ramp compression. See python plot.py --help for more details and examples.

Animating Hyades

animate.py is a command line interface to make simple animations of Hyades runs. It can create animations of the Eulerian position of a sample during a simulation, distributions of a variable over time, or show the lineout of any variable over time. See python animate.py --help for more details and examples.

Optimizing Hyades

Note: As of Dec 1, 2021 the PyHy Optimizer is only intended to optimize Particle Velocities in ramp compression experiments. Options to optimize Shock Velocity in shock compression experiments will be added.

optimize.py is a command line script to fit a Hyades simulated velocity to a VISAR measured velocity. To run the optimizer, three things must be set up before hand. This repository includes an example to run an optimization for the experimental data pyhy/data/experimental/FeSi_s77742.xlsx. This experimental data is from Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions (Wicks et al., 2018). To run this optimization, the following would need to be set up inside a directory pyhy/data/FeSi_s77742:

1. pyhy/data/FeSi_s77742/FeSi_s77742_setup.inf The filename format FeSi_s77742_setup.inf must be used. This a Hyades .inf file with the phrase TV_PRES inserted where the tv pressure values would go. This can be done for you by selecting Set Pressure for Optimization while using inf_GUI.py. Additionally, inside inf_GUI.py you must set a Material of Interest, which leaves a comment in the .inf file indicating which layer should be used for velocity calculations.
2. pyhy/data/experimental/FeSi_s77742.xlsx an excel file containing the experimental data. Any filename can be used, as long as it is specified in the .cfg. See pyhy/data/experimental/FeSi_s77742.xlsx for formatting.
3. pyhy/data/FeSi_s77742/FeSi_s77742.cfg a short text file with parameters for the optimization. The filename format FeSi_s77742.cfg must be used. See pyhy/optimizer/example.cfg for formatting and further details.

Once these three things are set up, the optimization can be run with python optimize.py FeSi_s77742 --run. The iteration number, residual, and pressure drive will be printed in the terminal. The optimization can be stopped at any time by pressing control + C or control + Z. Once completed, the optimization output can be plotted and compared to experiment. See python optimize.py --help for more details.

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Building off these tools

If you wish to use this repository to build your own graphics or customize Hyades inputs, all of the scripts are written as callable classes and functions that you can use in your own Python scripts. pyhy/tools/hyades_reader.py is used to handle all the data output from Hyades, and pyhy/graphics/static_graphics.py provides many examples of how the HyadesOutput class can be used to plot the data in many different ways.

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               Developed by the Wicks Lab at JHU