Running NWChem
| Announcement's | Replies | Views | Last Action |
| Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups |
0 | 1715 | Jun 18th 5:01 pm Edoapra |
| Locked Sticky: NWChem 7.0.0 available for dowload |
0 | 13620 | Dec 14th 2:51 pm Edoapra |
| Jump to page 1Prev 25 |
| Thread Title | Replies | Views | Last Action |
| Specifying regions for QMMM calculations |
1 | 2034 | Jan 7th 1:18 pm Antimon |
| how to print out the force related to each atom |
1 | 2202 | Dec 25th 5:33 pm Dulikai |
| How do nwchem parallel run on a single machine |
3 | 5563 | Dec 1st 2:28 pm Bert |
| Odd correlation energies for RI-MP2 calculations |
13 | 5368 | Nov 24th 9:53 am Guest - |
| charges embedding |
2 | 2369 | Nov 21st 2:58 pm Guest - |
| Convergence criteria for geometry optimization with B3LYP |
3 | 11660 | Nov 19th 4:28 pm Ram |
| Run parallel |
2 | 2447 | Nov 11th 2:19 am Guest - |
| An error occured in the Runtime Database |
4 | 9164 | Nov 9th 12:05 pm Mnahali |
| NP grid error |
1 | 2565 | Nov 8th 1:23 pm Bert |
| A number of the QA tests fail |
1 | 2917 | Nov 4th 3:09 pm Bert |
| formaldehyde results |
2 | 2684 | Nov 2nd 10:14 am Annaj |
| Endless TCGMSG run |
2 | 2854 | Oct 28th 4:53 pm Bert |
| MPI Error |
1 | 2366 | Oct 18th 10:37 am Guest - |
| Forum >> NWChem's corner >> Running NWChem |
| Jump to page 1Prev 25 |