From NWChem
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| 1:03:25 PM PST - Tue, Jan 31st 2012 |
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Could you please tell me what is the keyword for selecting a geometry from the database when doing a
restart.
For example,
Geometries in the database
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Name Natoms Last Modified
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1 driverinitial 78 Mon Jan 23 14:39:05 2012
2 geometry 78 Fri Jan 27 13:14:18 2012
3 esp:geometry 78 Fri Jan 27 13:16:40 2012
4 cesp:geometry 78 Fri Jan 27 13:16:40 2012
5 esp_fit:geometry 78 Fri Jan 27 13:16:40 2012
6 reference 78 Fri Jan 27 13:16:42 2012
7 reference 26 3 minus 78 Tue Jan 31 18:36:46 2012
By default, nwchem will select geometry no 7. How can I select geometry no 3
Thanks
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