[Bug] vesta 3.4.0 64x win 10 bonds/polyhedra

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yot...@gmail.com

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Oct 23, 2017, 5:07:57 AM10/23/17
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It seems there is a bug in win vesta 3.4.0 (didn't test for other platforms/vesta_versiona, would be grateful if someone try to reproduce this on mac/linux).
How to reproduce:
1. Take any sample .cif file, e.g. http://www.crystallography.net/cod/9002806.cif
2. Vesta automatically create Sr-O and Ti-O bonds.
4. Open bonds menu (Ctrl+B).
5. Make new bond, e.g. Sr-Sr for max length 4 Å.
6. Untick the "Poly." box, click OK.
7. Vesta should crush.

However if we use "do not search atoms beyond boundary" as boundary option all works fine.

Micah Prange

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Oct 24, 2017, 11:43:45 AM10/24/17
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I can reproduce your bug in mac vesta 3.3.9. In version 3.4.0, there are no automatically created bonds, and your recipe does not cause vesta to crash.

HTH 

yot...@gmail.com

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Oct 24, 2017, 11:50:08 AM10/24/17
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Thank you for attempt to reproduce this.
>In version 3.4.0, there are no automatically created bonds
Even with activated Edit -> Preferences -> "Start-up search for bonds" option?

Could you try to manually add bonds according to attachment before add Sr-Sr bond?
Untitled.png

Micah P. Prange

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Oct 24, 2017, 11:57:42 AM10/24/17
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Hi,

The preferences have been set to search for bonds on start-up throughout my testing today. The automatic bond search seems to be broken in 3.4.0 on my system. If I manually add the bonds, your recipe does not cause vesta to crash -- the Sr-Sr bonds appear as they should, even after manually adding the bonds that should be found by the automatic search.

Best,
Micah


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Koichi MOMMA

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Oct 24, 2017, 8:47:41 PM10/24/17
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There was a bug in v3.4.0 that caused VESTA to crash when searching bonds in a certain case. Please upgrade to the latest version 3.4.2.

Best regards,
Koichi


Micah P. Prange wrote on 10/25/17 12:57 AM:
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