| YUP Tutorial Module 3: Programming with YUP Part 2 | |
1. SetupThis is a continuation of Module 2 and it is for users of Yammp 2 who are planning to implement a new model type. You will learn how to make use of the access to the internal data structures that you learned in the previous module, to script complex calculations, and to write new programs or to extend existing ones. In the last chapter, you will learn what goes into creating a model. You can complete this tutorial in eight hours. |
|
| There is an arbitrary division
between scripting (Chapter 2) and
programming (Chapter 3), but both require access to the internal data
structures of YUP. Chapter 3 is the longest one of this tutorial; you
will be asked to write three Python programs. In the last chapter, you will learn to manually build a simple model. This is the process that we call force field assembly. |
|
|
Modules
0. Preparations
1. Model Construction and Simulations 2. Programming with YUP Part 1 3. Programming with YUP Part 2 4. Force field Assembly 5. Developing Potential Energy Terms |
|
Complete Chapters 7 and 8 of the Python tutorial, if you have skipped them before. If you do not have much experience in writing Python programs, it will be worth your while to go through the entire tutorial again. If you have not programmed in a modern language (e.g. C/C++ and Java) at all, you may want to work through a textbook. Check the Python.org home page for book recommendations and online tutorials. In particular, you need to understand functions, modules, classes and packages. |
Resources Yammp Under Python The Harvey Laboratory Python Home Python Tutorial (new browsers) |
| Prev | Top | Next | |