| Thread Title |
Replies |
Views |
Last Action |
Molecules with odd number of electrons
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0 |
1608 |
Apr 1st 11:57 pm
Alessandro.chiesa |
a
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0 |
2064 |
Mar 16th 8:36 am
Saeed1 |
data distribution and work distribution
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0 |
1795 |
Mar 9th 9:13 am
Oleandro |
NBO functionality
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0 |
2189 |
Feb 13th 3:14 am
Mpol |
mkccsd geometry optimization
|
2 |
2351 |
Feb 12th 7:03 pm
Vladimir |
NWPW calculation for Mg 2+
|
0 |
1848 |
Feb 11th 8:06 am
Btam125 |
Parameters extraction from NWChem output
|
0 |
1766 |
Feb 3rd 10:58 am
KhunWasut |
How to get One- and Two-particle density matrices out of non-MCSCF calculations?
|
2 |
2456 |
Jan 24th 8:49 am
Jhammond |
One electron overlap integrals
|
3 |
2431 |
Jan 22nd 3:14 pm
ATenderholt |
COOP Diagram
|
0 |
2101 |
Jan 21st 12:24 pm
Kperkins |
dispersion-corrected plane-wave dft
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0 |
2074 |
Jan 20th 7:48 am
Ivo |
BSSE calculation query
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0 |
2211 |
Jan 15th 12:07 pm
Neo |
Does the NWCHEM support 'Hybrid coupled cluster methods based on the split virtual orbitals'?
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0 |
2178 |
Dec 28th 2:06 am
Vladimir |
COSMO output questions
|
4 |
3582 |
Dec 7th 2:29 pm
Seunmesele |
2EORB in Mk-MRCCSD
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2 |
2065 |
Dec 7th 7:46 am
Vladimir |
Partial Occupancy NWPW Calculation
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0 |
1855 |
Nov 17th 10:19 am
Kperkins |
How to create Dummy centres with a grid but no basis
|
4 |
2509 |
Oct 31st 5:52 pm
Edoapra |
Build as Shared Library
|
0 |
2033 |
Oct 22nd 6:44 am
David M. Rogers |
Real time propagation with atomic basis
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0 |
2013 |
Oct 17th 3:08 pm
PZJuly |
Natural Orbital Analysis from mp2nos
|
0 |
1952 |
Oct 14th 9:02 am
David M. Rogers |
RESP2 charges
|
1 |
2513 |
Sep 19th 2:07 pm
P99 |
Radial integration
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0 |
1495 |
Sep 15th 10:54 am
Bob79 |
geometry optimization
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0 |
1616 |
Sep 4th 12:17 pm
Vitoversace |
fractional number of electrons with HF
|
9 |
2506 |
Jul 17th 7:56 pm
Nazarov |
about dplot functionality in a rt-tddft job
|
0 |
1403 |
Jul 17th 5:36 am
Abagg |