[GSAS-II] Bug / Issue with GUI

[Ivo Alxneit]

Dear all

I can double-click on the Uiso column (in Phase/Atoms tab) to reset all
values to their default, which seems to be 0,0. If I start a refinement
then, I get the error below (0,0 seems to be treated as string not as
number). I guess the easy fix would be to use a more reasonable default
as e.g. 0.2 (I guess Uiso=0 is non-physical anyways).

I also seem to recall that I came across a cif-files that contained
Uiso=0. So maybe make sure that the cif-reader replaces Uiso=0 with the
default as above.

project save successful
Traceback (most recent call last):
  File
"/home/alxneit/share/miniconda3/envs/gsas/GSASII/GSASIIdataGUI.py", line
4818, in OnRefine
    OK,Msg =
G2stMn.Refine(self.GSASprojectfile,dlg,refPlotUpdate=refPlotUpdate)
#Msg is Rvals dict if Ok=True
  File
"/home/alxneit/share/miniconda3/envs/gsas/GSASII/GSASIIstrMain.py", line
217, in Refine
    maxSSwave) =
G2stIO.GetPhaseData(Phases,restraintDict,rbIds,pFile=printFile)
  File "/home/alxneit/share/miniconda3/envs/gsas/GSASII/GSASIIstrIO.py",
line 1573, in GetPhaseData
    PrintAtoms(General,Atoms)
  File "/home/alxneit/share/miniconda3/envs/gsas/GSASII/GSASIIstrIO.py",
line 1173, in PrintAtoms
    line += '%8.5f'%(at[cia+1])+48*' '
TypeError: must be real number, not str


Python module versions loaded:
  Python:     3.7.7
  wx:         4.0.4
  matplotlib: 3.1.3
  numpy:      1.18.1
  scipy:      1.4.1
  OpenGL:     3.1.1a1
  Image:      7.0.0 (PIL or Pillow)
  Platform:   linux 64bit x86_64
  Max threads:2
This is GSAS-II revision 4379 (SVN version 4379)


Gruss and thanks for your help all the time!
-- 
Dr. Ivo Alxneit
Applied Catalysis and Spectroscopy Group
Bioenergy and Catalysis Laboratory        phone: +41 56 310 4092
Paul Scherrer Institute                     fax: +41 56 310 2688
CH-5232 Villigen                      gnupg key: 0x515E30C7
Switzerland
https://www.psi.ch/acs/

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