AIMAll 2016

== Introduction ==AIMAll is a software package for performing quantitative and visual QTAIM (Quantum Theory of Atoms in Molecules) analyses of molecular systems - starting from molecular wavefunction data. ¹

Installed version(s)

The following versions are installed and currently available...

... on environment hpc-env/8.3:

• AIMAll/19.10.12-intel-2019b-linux_64bit

Loading / Using AIMAll

To load the desired version of the module, use the module load command, e.g.

module load hpc-env/8.3
module load AIMAll

Always remember: this commands are case sensitive!

Although the installed AIMAll version on our cluster is pre-compiled on and for Linux, the softwares binaries (located at $EBROOTAIMALL/bin ) end with .exe suffixes. To start the AIMAll GUI, type in aimstudio.ish or aimstudio.exe after loading the software module. Please note, that as with all GUI-based applications on our cluster, this only works with an X11 connection enabled (on Linux shells ssh -X or ssh -Y)

Documentation

The full documentation can be found here.