Generate an Table of Alloy Compositions for HTC in Pandat GUI

This example demonstrates how to use PanPython SDK to generate a table of alloy compositions (configuration file) which can be loaded from Pandat GUI for HTC.

About point HTC

Point HTC allows a user to perform calculations for numerous compositions and/or temperatures in the user-defined state space by a simple setting. Alloy compositions and/or temperatures that satisfy user-defined criteria can then be discovered through data mining of the simulated results.

Step-by-step guide

Note

A video guide will be available very soon.

  1. Open the demo folder

    /Solution_Demos/panhtc_interface/” from PyCharm IDE. See Installation to setup the IDE environment.

  2. Build a task script

    An example script parallel_htc_points.py has already been include. Following the steps the create your script:

    Import packages
    import os
    from panpython.system import System
    from panpython.task.htc import HtcMesh
    
    Setup working folders and input files:
    dir_name = os.path.abspath(__file__)
    file_name = os.path.basename(__file__)
    task_path = dir_name[:-len(file_name)]
    
    dump_path = os.path.join(task_path, "output")
    batch_file = os.path.join(task_path, 'resource', 'Point_Al-Mg-Si_400C.pbfx')
    config_file = os.path.join(task_path, 'resource', 'Input_point.JSON')