Changeset 1929


Ignore:
Timestamp:
Jul 15, 2015 3:38:04 PM (7 years ago)
Author:
vondreele
Message:

fix sign error in getRho 8-pt interpolation

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r1928 r1929  
    24752475    X = np.array(xyz)%1.    #get into unit cell
    24762476    I = np.array(X*mapShape,dtype='int')
    2477     return rho[I[0],I[1],I[2]]
    24782477    D = X-I*mapStep         #position inside map cell
    24792478    D12 = D[0]*D[1]
     
    24812480    D23 = D[1]*D[2]
    24822481    D123 = np.prod(D)
    2483     Rho = rollMap(rho,I)    #shifts map so point is in corner
     2482    Rho = rollMap(rho,-I)    #shifts map so point is in corner
    24842483    R = Rho[0,0,0]*(1.-np.sum(D))+Rho[1,0,0]*D[0]+Rho[0,1,0]*D[1]+Rho[0,0,1]*D[2]+  \
    24852484        Rho[1,1,1]*D123+Rho[0,1,1]*(D23-D123)+Rho[1,0,1]*(D13-D123)+Rho[1,1,0]*(D12-D123)+  \
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