| 4:55:18 PM PST - Mon, Nov 13th 2017 |
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Hello Silvio
Nwchem 8.8 can produce MOLDEN output file according to the documentation
http://nwchemgit.github.io/index.php/Development:Properties#Moldenfile
If you set MOLDEN_NORM NONE this is exact MOLDEN format. MOLDEN 5.7 can open it and visualise orbitals.
But Molekel crashes when open this file, I wonder why MOLDEN 5.7 don't.
PS I've found the difference.
Molekel wants that in the following string should be only one whitespace between '=' and 'Alpha'
Spin= Alpha
Best Vladimir.
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