Changeset 673


Ignore:
Timestamp:
Jul 2, 2012 12:42:58 PM (9 years ago)
Author:
vondreele
Message:

small fix to noDuplicate

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r667 r673  
    141141        return [x0,Bmat,{'num cyc':icycle,'fvec':M,'nfev':nfev,'lamMax':lamMax,'psing':[]}]
    142142    except nl.LinAlgError:
    143         print 'ouch #2'
     143        print 'ouch #2 linear algebra error in LS'
    144144        psing = []
    145145        if maxcyc:
     
    767767       
    768768    def noDuplicate(xyz,peaks,Amat):
    769         if True in [np.allclose(np.inner(Amat,xyz),np.inner(Amat,peak),atol=1.0) for peak in peaks]:
    770             print ' Peak',xyz,' <1A from another peak'
     769        if True in [np.allclose(np.inner(Amat,xyz),np.inner(Amat,peak),atol=0.5) for peak in peaks]:
     770            print ' Peak',xyz,' <0.5A from another peak'
    771771            return False
    772772        return True
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