Changeset 1484 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
Sep 3, 2014 10:34:01 AM (7 years ago)
Author:
vondreele
Message:

change lower limit of LGmix to 0 from 0.1 - recompile Win-32 & Win-64 fortran sources
fix ellipseSizeDeriv - didn't do it correctly before
fix mustrain & size fxns & derivatives for CW (minor) & TOF major; all checked against numerical derivatives for both lorentzian & gaussian contributions as well as mixing coeff.

File:
1 edited

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  • trunk/GSASIIpwd.py

    r1474 r1484  
    788788    dRdS = np.zeros(6)
    789789    for i in range(6):
    790         dSij = Sij[:]
    791         dSij[i] += delt
    792         dRdS[i] = (ellipseSize(H,dSij,GB)-lenR)/delt
     790        Sij[i] -= delt
     791        lenM = ellipseSize(H,Sij,GB)
     792        Sij[i] += 2.*delt
     793        lenP = ellipseSize(H,Sij,GB)
     794        Sij[i] -= delt
     795        dRdS[i] = (lenP-lenM)/(2.*delt)
    793796    return lenR,dRdS
    794797
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