Ignore:
Timestamp:
Sep 2, 2021 4:10:06 PM (3 months ago)
Author:
toby
Message:

index changes for CCTBX; new scrolled output routine; document external routines

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/docs/source/packages.rst

    r4658 r5020  
    5151  GSAS-II to download updates to our code.
    5252
    53 
    5453Scripting  Requirements
    5554-----------------------
     
    6564http://www.pythonware.com/products/pil/), or h5py + hdf5 to function
    6665but scripts will load and run without these.
     66
     67
     68External and Supplied Programs
     69--------------------------------
     70
     71GSAS-II provides interfaces to use a number of programs developed by
     72others. Some are included with GSAS-II and others must be installed
     73separately. When these programs are accessed, citation
     74information is provided.
     75
     76GSAS-II includes copies of these programs:
     77
     78  **DIFFaX**
     79    Simulate layered structures with faulting
     80   
     81  **CifFile**
     82    A software library used to read data and structures from CIF
     83   
     84  **Shapes**
     85    Model small angle scattering with shaped particles
     86   
     87  **NIST FPA**
     88    Use Fundamental Parameters to determine GSAS-II profile function
     89
     90No additional steps beyond a standard installation
     91are needed to access their functionality.
     92
     93**Bilboa Crystallographic Server**: GSAS-II directly access the
     94Bilboa Crystallographic Server (provided
     95the computer has internet access). This allows automated use of the
     96k-SUBGROUPSMAG, k-SUBGROUPS and PseudoLattice web utilities for
     97computation of space group subgroups, color (magnetic) subgroups &
     98lattice search.
     99
     100At the request of the program authors, these programs are not included
     101with GSAS-II and must be installed separately:
     102
     103  **RMCProfile**
     104    Large-box PDF & S(Q) fitting. We have heard from users that V6.7.7
     105    of RMCProfile is compatible with the input created by GSAS-II,
     106    but not V6.7.9.
     107
     108  **fullrmc**
     109    A modern software toolkit for large-box PDF & S(Q) fitting. Use
     110    version 5.0 or later.
     111
     112  **Dysnomia**
     113    Computes enhanced Fourier maps with Maximum Entropy estimated
     114    extension of reflection sphere
Note: See TracChangeset for help on using the changeset viewer.