Changeset 4770 for trunk


Ignore:
Timestamp:
Jan 16, 2021 10:16:55 AM (10 months ago)
Author:
vondreele
Message:

reinstitute final call to Hess after convergence - required for proper esds

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed

  • trunk/GSASIImath.py

    r4767 r4770  
    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)

  • trunk/GSASIIplot.py

    r4766 r4770  
    126126    import wx.glcanvas
    127127    import matplotlib as mpl
     128    import matplotlib.pyplot as plt
    128129    if not mpl.get_backend():       #could be assigned by spyder debugger
    129130        mpl.use('wxAgg')
    … …  
    91619162        GL.glMultMatrixf(B4mat.T)
    91629163        GL.glDisable(GL.GL_LIGHTING)
    9163 #        GL.glWindowPos3f(0,0,0)
    91649164        GL.glMultMatrixf(matRot)
    91659165        GL.glRotate(180,1,0,0)             #fix to flip about x-axis
    … …  
    91689168        GL.glEnable(GL.GL_LIGHTING)
    91699169        GL.glPopMatrix()
    9170          
     9170       
    91719171    def RenderMap(rho,rhoXYZ,indx,Rok):
    91729172        GL.glShadeModel(GL.GL_FLAT)
    … …  
    95579557                return
    95589558            Rmax = np.max(rho)*drawingData['contourMax']
    9559             import matplotlib.pyplot as plt
    95609559            Model = GL.glGetDoublev(GL.GL_MODELVIEW_MATRIX)
    95619560            invModel = nl.inv(Model)
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