Changeset 4767


Ignore:
Timestamp:
Jan 14, 2021 2:10:10 PM (11 months ago)
Author:
vondreele
Message:

comment out recalculatin if LS matrix after convergence - faster LS finish & seems no effect otherwise.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r4764 r4767  
    357357        return [x0,None,info]
    358358    chisqf = np.sum(M**2) # ending chi**2
    359     Yvec,Amat = Hess(x0,*args)    # we could save some time and use the last Hessian from the last refinement cycle
     359#    Yvec,Amat = Hess(x0,*args)    # we could save some time and use the last Hessian from the last refinement cycle
    360360    psing_prev = [i for i in range(n) if i not in indices] # save dropped vars
    361361    indices = range(n)
     
    29562956    General = Phase['General']
    29572957    Amat,Bmat = G2lat.cell2AB(General['Cell'][1:7])
    2958     cx,ct,cs,cia = getAtomPtrs(data)
     2958    cx,ct,cs,cia = getAtomPtrs(Phase)
    29592959    Atoms = Phase['Atoms']
    29602960    cartAtoms = []
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