Pittsburgh Supercomputing Center 

Advancing the state-of-the-art in high-performance computing,
communications and data analytics.

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Category: Water geometry optimization
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Files:
Job script for water optimization

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Job script




Created
Size
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2014-07-16 18:05:13
1.14 KB
50
Geometry optimization input data

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Input data file




Created
Size
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2014-07-16 18:09:33
145 B
47
Geometry optimization log file

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Log file for geometry optimization




Created
Size
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2014-07-16 18:12:51
58.64 KB
50
Geometry optimization standard output and error

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Standard output and error from the geometry optimization job.




Created
Size
Downloads
2014-07-16 18:13:56
2.29 KB
45