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Displaying 7 results for: Rasmus Topics
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| Thread Title | Replies | Views | Last Action | Forum |
| Spin contamination for calculations including iron Started By : Rasmus |
3 | 1553 | Feb 17th 9:47 am Sean |
Running NWChem |
| Expectation value of S2 Started By : Rasmus |
0 | 984 | Apr 15th 6:26 am Rasmus |
Running NWChem |
| error running nwchem_openmpi in parallel Started By : Rasmus |
2 | 6898 | Mar 31st 12:34 am Rasmus |
Running NWChem |
| compiling conflict Started By : Rasmus |
2 | 1414 | Mar 30th 4:48 am Rasmus |
Compiling NWChem |
| Problems with frequency calculations Started By : Rasmus |
1 | 1020 | Feb 29th 9:12 am Sean |
Running NWChem |
| Transition state search from frequency calculation Started By : Rasmus |
3 | 1118 | Feb 9th 2:07 am Rasmus |
Running NWChem |
| removing constraints after constrained optimization Started By : Rasmus |
1 | 729 | Feb 3rd 4:05 am Rasmus |
Running NWChem |
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