GSAS-II Home Page

Contents

• 1. GSAS-II Installation Options
• 2. Available Documentation for GSAS-II
• 3. Mailing List
• 4. Reporting GSAS-II Bugs
• 5. Information for GSAS-II Developers
• 6. Compiling GSAS-II
• 7. Customized Python Installation
• 8. Web Proxies

Welcome to the home page for GSAS-II, a unique and comprehensive open source Python project for determination of crystal structures and diffraction-based materials characterization for crystalline solids on all scales, from perovskites through proteins, using both powder and single-crystal diffraction and with both x-ray and neutron probes. Refinements can combine measurements from laboratory and synchrotron x-rays, as well as constant wavelength or time-of-flight neutron sources. It provides structure solution and refinement, as well as extensive visualization capabilities.

GSAS-II is made available for free use (see license) with open access to ​the source code.

Tip

Please help us by citing:

Toby, B. H., & Von Dreele, R. B. (2013). “GSAS-II: the genesis of a modern open-source all purpose crystallography software package”. Journal of Applied Crystallography, 46(2), 544-549. ​doi:10.1107/S0021889813003531

Note that some sections of the program utilize externally provided codes or reference later work, with citations provided as they are used. Please cite them as well.

Also, please do sign up for the ​GSAS-II mailing list see below. We add new features to GSAS-II quite frequently, so we may break things from time to time (see bug reporting). Be sure to use the Help-->Update capability frequently to stay abreast of new features and fixes as they are added and please make sure to use the latest version before reporting a bug to us, but please do report bugs.

Installation overview

There are several different ways to install GSAS-II, as are outlined below. Most people will use the GSAS2FULL installer

Installation information:

• 1. GSAS-II Installation Options
  • 1.1. GSAS2FULL installer
    • 1.1.1. Windows
    • 1.1.2. MacOS and Linux
    • 1.1.3. GSAS2FULL Additional Details
      • 1.1.3.1. Windows GSAS2FULL Installation Details
      • 1.1.3.2. MacOS GSAS2FULL Installation Details
      • 1.1.3.3. Linux GSAS2FULL Installation Details
  • 1.2. GSAS2PKG Conda Package
  • 1.3. Installing GSAS-II after Python Installation
  • 1.4. Installation for GSAS-II Software Developers
  • 1.5. Older methods

Available Documentation

While there is no manual for GSAS-II, there is quite a bit of web-based documentation, as listed below.

• 2. Available Documentation for GSAS-II
  • 2.1. Tutorials
  • 2.2. Help pages
  • 2.3. Developer’s Documentation
  • 2.4. Scripting Documentation
  • 2.5. Crystallography/Powder Diffraction Intro

Mailing List

If you use GSAS-II, please join the mailing list so we can tell you about what is new and changing.

• 3. Mailing List
  • 3.1. Subscribing
  • 3.2. Using the list

Reporting Bugs

If something is not working properly in GSAS-II, please let us know. If we don’t know its broken, its not going to be fixed. Information on how to report bugs is here.

• 4. Reporting GSAS-II Bugs
  • 4.1. What to report
  • 4.2. How to report

Information for code developers

We encourage you to improve GSAS-II or to use the code in your own projects. Some starting information is here:

• 5. Information for GSAS-II Developers

Installation details

Most people will not need these details, but some specific installation details are discussed in the topics below.

• 6. Compiling GSAS-II
• 7. Customized Python Installation
  • 7.1. conda
  • 7.2. pip
  • 7.3. homebrew
  • 7.4. Distro-supplied packages
• 8. Web Proxies