Changeset 2481 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
Sep 30, 2016 10:33:12 AM (5 years ago)
Author:
vondreele
Message:

force Transform to delete nonmagnetic atoms if phase made magnetic & add 'mag' to new phase name
fix TOF cosine background function
magnetic structure refinement works (in numeric mode only)
magnetic structure factor calculation correct

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwd.py

    r2473 r2481  
    622622            key = pfx+'Back;'+str(iBak)
    623623            if bakType == 'chebyschev':
    624                 ybi = parmDict[key]*(2.*(xdata-xdata[0])/dt-1.)**iBak
     624                ybi = parmDict[key]*(-1.+2.*(xdata-xdata[0])/dt)**iBak
    625625            elif bakType == 'cosine':
    626                 ybi = parmDict[key]*npcosd(xdata*iBak)
     626                ybi = parmDict[key]*npcosd(180.*xdata*iBak/xdata[-1])
    627627            yb += ybi
    628628        sumBk[0] = np.sum(yb)
     
    744744        for iBak in range(nBak):   
    745745            if bakType == 'chebyschev':
    746                 dydb[iBak] = (2.*(xdata-xdata[0])/dt-1.)**iBak
     746                dydb[iBak] = (-1.+2.*(xdata-xdata[0])/dt)**iBak
    747747            elif bakType == 'cosine':
    748                 dydb[iBak] = npcosd(xdata*iBak)
     748                dydb[iBak] = npcosd(180.*xdata*iBak/xdata[-1])
    749749    elif bakType in ['Q^2 power series','Q^-2 power series']:
    750750        QT = 1.
Note: See TracChangeset for help on using the changeset viewer.