Changeset 2550 for trunk/testDeriv.py


Ignore:
Timestamp:
Nov 28, 2016 2:59:55 PM (5 years ago)
Author:
vondreele
Message:

fix binary import for Bruker raw files
fix issues for new atoms in mag structures

File:
1 edited

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  • trunk/testDeriv.py

    r2549 r2550  
    88refinement against numerical values computed in this script.
    99
    10 To use set ``DEBUG=True`` in GSASIIstrMain.py (line 22, as of version
    11 1110); run the least squares - one cycle is sufficient.  Do the "Save
     10To use set ``DEBUG=True`` in GSASIIstrMain.py (line 40, as of version
     112546); run the least squares - zero cycles is sufficient.  Do the "Save
    1212Results"; this will write the file testDeriv.dat in the local
    1313directory.
     
    1717derivatives generated over all observations (including penalty terms)
    1818and the corresponding analytical ones produced in the least
    19 squares. They should match.
     19squares. They should match. Profiling is also done for function
     20calculation & for the 1st selected derivative (rest should be the same).
    2021'''
    2122
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