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You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".#1 2018-01-24 13:48:39
- Hanros
- Member
- Registered: 2017-12-26
- Posts: 17
Cleanup - doesn't work in Molcas v8.0.15-06-18
Hi
I'm trying to run the NiH high symmetry linear molecule example given in the molcas manual. I have copied and pasted the input yet the file ends abruptly with no reason stated. Upon commenting the cleanup option it runs fine. Has anyone else had similar problems? The input file is given in the url :
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#2 2018-01-24 14:20:22
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,011
Re: Cleanup - doesn't work in Molcas v8.0.15-06-18
The tutorial could be outdated and as far as I can see the CLEANUP keyword is untested, so you can consider it broken.
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#3 2018-01-24 14:36:20
- Hanros
- Member
- Registered: 2017-12-26
- Posts: 17
Re: Cleanup - doesn't work in Molcas v8.0.15-06-18
Hi Ignacio
The Keyword is included in other tutorials the most recent manual - 8.0.15-06-18. Could I please confirm that it is indeed broken?
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