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 Examples/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')