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Attempted to delete molecule X of species 2 but the molecule energy is too high

  • sarvelos
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6 years 6 months ago #426 by sarvelos
Hi! I write to inform you that I tested the re-compiled executable of Cassandra for rebuilded supercell of the MOFs and everything is ok. I tested another structures and no error was detected.
Thank you very much!
Sarah

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6 years 6 months ago #427 by jshah
Hi Sarah,

Thank you for carrying out the MOF calculations and reporting back on the forum. We always welcome contributions from users regarding mcf files. If you feel comfortable sharing yours, we would highly appreciate the gesture.

Happy computing!
Jindal

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