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Comments (4)

pierrehirel avatar pierrehirel commented on August 28, 2024

Dear Sir/Madam,

Thank you for reporting this bug. I just pushed a new version on GitHub that should fix it, please confirm.

Please note that this feature is currently in development and may not be fully functional, in particular when the Burgers vector has components out of the loop plane.

Best regards

from atomsk.

lfbu avatar lfbu commented on August 28, 2024

Dear Pierre,

Thank you for your so prompt reply! I have compiled the source code in my VirtualBox. I'm sorry to inform you that
it doesn't work yet! Although it does display "successful", the system doesn't have any change in fact!

The dislocline.txt is:
dislocation 0 2.556 0
0.2box 0.2box 0.5box
0.2
box 0.6box 0.5box
0.6box 0.6box 0.5box
0.6
box 0.2box 0.5box

And I find that it seems to not read the file at all. Whether the file is in the correct form or not, it will succeed every time.
In addition, I want to know if it is possible to insert a dislocation whose slip plane is not perpendicular to x, y or z axis.

1

from atomsk.

pierrehirel avatar pierrehirel commented on August 28, 2024

This option does not support reduced coordinates, i.e. given with the keyword "BOX". Coordinates must be given as real numbers in angströms.

from atomsk.

lfbu avatar lfbu commented on August 28, 2024

I really appreciated your kind reminder! It has been fixed and I have got what I want.
Hope that Atomsk will get better in the future!
Thanks again!

Best regards

from atomsk.

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