Changeset 779


Ignore:
Timestamp:
Oct 4, 2012 4:30:34 PM (9 years ago)
Author:
vondreele
Message:

try polynomial expansion for density peak fitting - OK result

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r774 r779  
    831831    def rhoCalc(parms,rX,rY,rZ,res,SGLaue):
    832832        Mag,x0,y0,z0,sig = parms
    833         return norm*Mag*np.exp(-((x0-rX)**2+(y0-rY)**2+(z0-rZ)**2)/(2.*sig**2))/(sig*res**3)
     833        z = -((x0-rX)**2+(y0-rY)**2+(z0-rZ)**2)/(2.*sig**2)
     834#        return norm*Mag*np.exp(z)/(sig*res**3)     #not slower but some faults in LS
     835        return norm*Mag*(1.+z+z**2/2.)/(sig*res**3)
    834836       
    835837    def peakFunc(parms,rX,rY,rZ,rho,res,SGLaue):
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