QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: zdhlover on January 15, 2010, 07:42
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;D ;D ;D Hi,everyone:
First, I congratulate the released of the new version of ATK-SE 2009.12.The new version has so many powerful tools , and I think it will be more popular.
When I use the CUSTOM BUILDER in Custom,I have encounter one problem:
the append file is a script that CEO Kurt Stokbro wrote in HeFei of China, it worked well of the time in HeFei, however, when I dragged it into the CUSTOM BUILDER in Custom of ATK-SE 2009.12,it does't work, and it give the follow error message:
Traceback (most recent call last):
File ".\zipdir\NL\GUI\Core\Runner.py", line 232, in run
File "<string>", line 20, in configuration
AttributeError: 'BulkConfiguration' object has no attribute 'get_bravais_lattice'
Info: Script generator function does not generate a valid configuration.
how can I solve it ?
By the way,maybe we want to write some other scripts like above which has the parameters that influence the lattice constants or the coordinates of the atoms, i.e. maybe the lattice constants or the coordinates of the atoms in our own scripts are dynamic ,how can I do so that we can conveniently control the parameters in our own scripts?
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The NL syntax was changed a bit recently, to go back to the older standard (inUnitsOf instead of in_units_of, and no "get" prefix). I have updated the script, you can find it attached.
If you want to make your own Custom Builder, see http://quantumwise.com/documents/manuals/ATK-2009.12/VNLTutorial/chap.ctools.html
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Damn. Beated by 5 seconds :)
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;D ;D ;D
Thanks a lot for your's timely reply, the new version of ATK-SE 2009.12 is so powerful, and I greatly appreciate it!
I aslo think it will be more popular!