# ORCA

Description
===========
ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum
chemistry with specific emphasis on spectroscopic properties of open-shell
molecules. It features a wide variety of standard quantum chemical methods
ranging from semiempirical methods to DFT to single- and multireference
correlated ab initio methods. It can also treat environmental and relativistic
effects.


More information
================
 - Homepage: https://www.faccts.de/
 - https://www.orcasoftware.de/tutorials_orca/index.html
 - https://orcaforum.kofo.mpg.de

The ORCA software require a Mandatory Registration. A copy of the *End User License Agreement* should be 
sent to PSMN Staff.
## Availability 
| Module |Generic|E5|Lake|Epyc|Cascade|
|------|------|------|------|------|------|
|<a href="orca.html">ORCA/4.2.1-gompi-2019b</a>|| ✓ ||||
|<a href="orca.html">ORCA/5.0.2-gompi-2021b</a>|| ✓ ||||