Difference between revisions of "Software:adf"
From CAC Wiki
(→ADF) |
(→ADF) |
||
| (7 intermediate revisions by one other user not shown) | |||
| Line 2: | Line 2: | ||
{| style="border-spacing: 8px;" | {| style="border-spacing: 8px;" | ||
| valign="top" width="50%" style="padding:1em; border:1px solid #aaaaaa; background-color:#e1eaf1; border-radius:7px" | | | valign="top" width="50%" style="padding:1em; border:1px solid #aaaaaa; background-color:#e1eaf1; border-radius:7px" | | ||
| − | ADF (Amsterdam Density Functional) is a complete computational chemistry suite with a fully integrated GUI for easy set-up and analysis. | + | ADF (Amsterdam Density Functional) is a complete computational chemistry suite with a fully integrated GUI for easy set-up and analysis. The following packages are available: |
: '''ADF''': powerful molecular DFT with unique features. | : '''ADF''': powerful molecular DFT with unique features. | ||
| Line 14: | Line 14: | ||
* '''Location''': /opt/adf | * '''Location''': /opt/adf | ||
* '''Related link''': For more information go to SCM web site: http://www.scm.com/ | * '''Related link''': For more information go to SCM web site: http://www.scm.com/ | ||
| − | * '''Statement''': [ | + | * '''Statement''': [https://info.cac.queensu.ca/wiki/files/cac-adf-statement.pdf Necessary to access the software] |
| − | * '''Help File''': [[ | + | * '''Help File''': [[HowTo:adf|ADF Help File]] |
|} | |} | ||
* '''Related Software''': | * '''Related Software''': | ||
Latest revision as of 15:57, 21 August 2023
ADF
|
ADF (Amsterdam Density Functional) is a complete computational chemistry suite with a fully integrated GUI for easy set-up and analysis. The following packages are available:
ADF is an accurate, parallelized, powerful computational chemistry program to understand and predict chemical structure and reactivity with density functional theory (DFT). Heavy elements and transition metals are accurately modeled with ADF's reliable relativistic ZORA approach and all-electron basis sets for the whole periodic table (H-Uuo). A vast range of spectroscopic properties and comprehensive analysis tools yield invaluable insight in chemical structure and reactivity. DFT calculations are easily prepared and analyzed with our GUI.
|
