Date:
02/26/07 22:55
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Submitted by:
unset
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Assigned to:
unset
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Category:
I/O
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Priority:
3
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Ticket group:
Priority 4
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Resolution:
Resolved
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Summary:
molden input file not interpreted correctly
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Original submission:
Using 5.1 under linux (glibc 2.4) I have tried several .molden files from the "put,molden" command in molpro 2006.1. I opened these files (one was c2h5, so I'm pretty sure the Molden one's are correct) using Molden 4.4 and everything looks fine. When I open the same files using Molekel the orbitals aren't even close to those I get in Molden. I tried both regular orbitals and localized ones using the Pipek-Mezey method, and both sets differ from those Molden shows.
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Ticket change history
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Field
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Old value
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Date
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By
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status_id
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Unset |
08/16/07 10:05
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varetto
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resolution_id
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Unset |
08/16/07 10:05
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varetto
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close_date
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12/31/69 19:00 |
08/16/07 10:05
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varetto
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priority
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5 |
07/19/07 10:08
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varetto
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