System |
(*) | Vendor/Distributor |
Jaguar |
(1) |
Schrodinger, Inc. |
Q-Chem |
(1) |
Q-Chem, Inc. |
PQS |
(1) |
Parallel Quantum Systems |
ADF |
(1) |
Scientific Computing & Modelling N.V. |
Firefly/PC-GAMESS |
(2) |
Alex A. Granovsky, Moscow State University |
GAMESS(U.S.) |
(3) |
Ames Laboratories, Iowa State University |
NWChem |
(3) |
Pacific Northwest National Laboratories |
Gaussian |
(4) |
Gaussian, Inc. |
Spartan |
(5) |
Wavefunction, Inc. |
Turbomole |
(5) |
Turbomole GmbH |
| (1) | NBO 5.0 included with ESS package. |
| (2) | NBO 5.0 included, but requires NBO password from TCI/NBO Software |
| (3) | Protected interface; requires linking to NBO 5.G from TCI/NBO Software. |
| (4) | Older NBO3-level code included, but can be upgraded with NBO 5.9 from TCI/NBO Software. |
| (5) | Partial (NPA only) implementation of older NBO3-level code. |