Atomistix ToolKit 2008.10
Welcome to Atomistix ToolKit
2008.10
Introduction to ATK
Introduction
Table of Contents
Introduction to ATK
Preface
Introduction
How to read this manual
Moving on
Installing ATK
Introduction
Installing ATK
Linux
Windows
Setting up the
PATH
variable
Linux
Windows
Testing the installation
Uninstalling
Linux
Windows
System requirements
Support
The FLEXlm license system
Introduction
Obtaining the license file
Installing the license file
Uncounted node-locked license
Floating license
Configuring the clients
Testing the installation
The format of the license files
Node-locked license file
Floating license file
Support
Introduction to NanoLanguage
Introduction
What is NanoLanguage?
Why the change?
Benefits of NanoLanguage
Control
Transparency
Extendable functionality
Access
Python
Community concepts
NanoLanguage in QuantumWise products
What can NanoLanguage do for my calculations?
Control of parameters
Control of flow
Control of output
Programming
Integration of third-party software
Summary
Python basics
Introduction
Indentation
Comments
Importing modules
Lists
Tuples
Dictionaries
For loops
Objects
Functions and arguments
Using NumPy in NanoLanguage
Comparing with old versions
Changes since ATK
2008.02
Changes since ATK
2.3
Changes since ATK
2.2
Changes since ATK
2.1
Changes since ATK
2.0