Changeset 3813


Ignore:
Timestamp:
Feb 7, 2019 12:19:13 PM (3 years ago)
Author:
vondreele
Message:

fix problem with update of modulation vector after refinement
change start Fc value to 1.0 from 100.0; gives better stability in starting LeBail? refinements.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrIO.py

    r3811 r3813  
    20162016                ptstr =  '  values:'
    20172017                sigstr = '  esds  :'
    2018                 for var in ['mV0','mV1','mV2']:
     2018                for iv,var in enumerate(['mV0','mV1','mV2']):
    20192019                    namstr += '%12s'%(pfx+var)
    20202020                    ptstr += '%12.6f'%(parmDict[pfx+var])
    20212021                    if pfx+var in sigDict:
     2022                        Vec[iv] = parmDict[pfx+var]
    20222023                        sigstr += '%12.6f'%(sigDict[pfx+var])
    20232024                    else:
     
    24122413                                    pos = G2lat.Dsp2pos(inst,d)
    24132414                                    if limits[0] < pos < limits[1]:
    2414                                         refList.append([h,k,l,m,mul,d, pos,0.0,0.0,0.0,100., 0.0,0.0,1.0,1.0,1.0])
     2415                                        refList.append([h,k,l,m,mul,d, pos,0.0,0.0,0.0,1., 0.0,0.0,1.0,1.0,1.0])
    24152416                                        #... sig,gam,fotsq,fctsq, phase,icorr,prfo,abs,ext
    24162417#                                        Uniq.append(uniq)
     
    24202421                                    if limits[0] < pos < limits[1]:
    24212422                                        wave = inst['difC'][1]*d/(252.816*inst['fltPath'][0])
    2422                                         refList.append([h,k,l,m,mul,d, pos,0.0,0.0,0.0,100., 0.0,0.0,0.0,0.0,wave, 1.0,1.0,1.0])
     2423                                        refList.append([h,k,l,m,mul,d, pos,0.0,0.0,0.0,1., 0.0,0.0,0.0,0.0,wave, 1.0,1.0,1.0])
    24232424                                        # ... sig,gam,fotsq,fctsq, phase,icorr,alp,bet,wave, prfo,abs,ext
    24242425                                        #TODO - if tabulated put alp & bet in here
     
    24392440                                pos = G2lat.Dsp2pos(inst,d)
    24402441                                if limits[0] < pos < limits[1]:
    2441                                     refList.append([h,k,l,mul,d, pos,0.0,0.0,0.0,100., 0.0,0.0,1.0,1.0,1.0])
     2442                                    refList.append([h,k,l,mul,d, pos,0.0,0.0,0.0,1., 0.0,0.0,1.0,1.0,1.0])
    24422443                                    #... sig,gam,fotsq,fctsq, phase,icorr,prfo,abs,ext
    24432444#                                    Uniq.append(uniq)
     
    24472448                                if limits[0] < pos < limits[1]:
    24482449                                    wave = inst['difC'][1]*d/(252.816*inst['fltPath'][0])
    2449                                     refList.append([h,k,l,mul,d, pos,0.0,0.0,0.0,100., 0.0,0.0,0.0,0.0,wave, 1.0,1.0,1.0])
     2450                                    refList.append([h,k,l,mul,d, pos,0.0,0.0,0.0,1., 0.0,0.0,0.0,0.0,wave, 1.0,1.0,1.0])
    24502451                                    # ... sig,gam,fotsq,fctsq, phase,icorr,alp,bet,wave, prfo,abs,ext
    24512452#                                    Uniq.append(uniq)
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