atomsk --polycrystal gives errors on long angles X an Y about atomsk HOT 2 CLOSED

Hello Jan,

The problem came from the fact that lines were stored in a string of 128 characters, which I assumed would be enough for most practical purposes. You just proved me wrong :-)

I just increased the line size to 4096 (hopefully now it should be enough!), and pushed the fix on GitHub. Can you please try it and tell me if it works?

As a side note, one of the nodes in your file is out of the box (the one with negative coordinate). Atomsk will now warn about that and wrap this position so that it is inside the box.

Best
Pierre

from atomsk.

Yes, it works. Thank you very much.

The position of nodes are also slightly disturbed by a small random number. I saw couple of the warnings already, but I'm not worried about it as the result looks as expected.

from atomsk.