Hi,
I report a bug in using VNL to set OptimizeGeometry parameters.
It is not possible to input anything in the "Constraints" line, which is supposed to set the list of atoms that are fixed during optimization. I believe this may be a simple GUI bug, probably only for the Mac version of 2014.2 that I am using.
Thanks and regards.
Here are my system and VNL/ATK version info:
Virtual NanoLab - Atomistix ToolKit - Version 2014.2
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System information
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Build: 2014.2.811a2e4
Platform: Darwin
Python 2.7.2
Qt 4.8.5
PyQt 4.10.3
OpenGL information
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Vendor: Intel Inc.
Renderer: Intel Iris OpenGL Engine
Version: 2.1 INTEL-10.2.46
Shading language version: 1.20