Starting LITESOPH

landing_page

1. Create LITESOPH Project: Creates new LITESOPH project folder

2. Open LITESOPH Project: Opens an existing LITESOPH project folder

3. About LITESOPH: Links to the official website page

Create a new Project

Create_project_page
1. Create LITESOPH Project:

  • Enter the project name and select the directory.

Create a Workflow

Available two options are:

  • New Workflow

  • Clone from an existing Workflow

New Workflow

create_new_workflow_page

Creates a new workflow from scratch.

Clone from an existing Workflow

clone_workflow_page

1.Creates a new workflow from existing workflows. 2.Select the workflow from available options. 3.Select the branch point: the tasks upto this point are copied from the existing workflows. 4.Select the workflow type to proceed with.

LITESOPH calculation is initiated with creating a workflow under current project. This is a chain of tasks defined by

  1. Workflow Mode

  2. Task Mode

1. Menubar:

File: Options:

  • New Workflow : Click to create a new Workflow under current LITESOPH project Create a Workflow

  • New Project

  • Open Project

  • Exit

2. Left Panel: Shows the tree view of existing workflows under current LITESOPH project

3. Central Panel: Collects general information/options

  • Geometry

  • Upload Geometry: Uploads the geometry file in .xyz format

  • View: Visualizes the geometry file using visualization software such as VMD, VESTA

  • System Info

  • Charge

  • Multiplicity

  • Select Options

    • Workflow Mode: Navigates the users through predefined steps for selected workflow (Link to workflow mode description)

    • Task Mode: Task-wise implementation defined under categories: Pre-processing, Simulation, Post-Processing

4. Right Panel: Shows the generated input and update to users, relavant to the current view in text format.