5. Examples

In this chapter we present example PLAMS scripts covering various applications, from very simple tasks like running the same calculation for multiple molecules, to rather advanced dynamic workflows with multiple internal dependencies.

The examples presented in the Recipes section are simple job types built using basic PLAMS elements. They are shipped with PLAMS in the recipes subpackage and can be directly used in your scripts. In other words, the code presented there is already included in PLAMS and (unlike examples from two other sections) does not need to be copied to your script. The source code of recipes modules is presented here to demonstrate how easy it is to build on top of existing PLAMS elements and create your own fully customized job types.

5.2. Advanced examples