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Templating for Input Scripts

We implement templating for generalizing and automating the generation of input files, which are necessary for executing relevant simulations through the required simulation engine. This ensures, for example, that the same template can conveniently be applied to many different materials under the same simulation job.

Concepts

We review and explain the general concept of templating in computer science in this page.

Jinja

Under this page we introduce the basic syntax of the template engine we adopt.

Convention

The specific aspects of how templating is implemented on our platform are the object of this discussion.

Example

We provide an example of input file templating for a materials science computation here.

User Interface

The User Interface components which are pertinent to setting templating options, for the generation of input files during the Design stage of a new Workflow, are reviewed in this page.

Tutorials

More information about how templating can be adapted to different circumstances, are discussed in the corresponding Tutorial section of our documentation here.