| Thread Title |
Replies |
Views |
Last Action |
Calculate the energy difference of MM and QMMM
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1 |
2447 |
Jun 13th 7:40 am
Marat |
Combining COSMO and NMR shielding
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2 |
3511 |
Jun 8th 5:36 pm
Niri |
Freq calculation with freeze atoms
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1 |
2780 |
May 17th 11:54 am
Bert |
Spin density for arbitrary CI
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1 |
3067 |
May 3rd 10:18 am
Bert |
How to import Hessian from another program?
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2 |
3170 |
Apr 4th 11:37 am
Guest - |
accessing MOs from python
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1 |
2978 |
Apr 1st 12:28 pm
Bert |
suggestion for future release: setting up permanent_dir via environmental variable
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2 |
3385 |
Apr 1st 12:26 pm
Bert |
EA-EOMCC methods
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1 |
2596 |
Mar 2nd 12:14 pm
Guest - |
TDDFT Transition densities
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0 |
3160 |
Jan 25th 2:25 am
Guest - |
DFT-D in Nwchem
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3 |
3731 |
Jan 24th 7:59 am
Strutynski.karol |
Spin-orbit coupling martrix elements calculation with NWchem
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1 |
4304 |
Dec 12th 8:51 pm
Niri |
basis sets for relativistic NESC
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1 |
3595 |
Oct 28th 5:03 pm
Bert |
Fix for S4 symmetry with NWChem 6.0
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0 |
3351 |
Oct 26th 12:19 pm
Niri |
DNTMC
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1 |
2486 |
Oct 18th 10:34 am
Guest - |
Welcome..
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0 |
2642 |
Sep 3rd 9:49 am
WikiSysop |