Available Program Packages

A) <html> Prof. Kaupp's and Prof. Mroginski's group: </html>

Gaussian 16 (only SMP executables; no Linda parallel)
Loading module: export MODULEPATH=<html>„</html>/home/units/Fak_II/quantenchemie/gaussian/modules:$MODULEPATH<html>“</html> (Quantenchemie Group) or
<html> </html> export MODULEPATH=<html>„</html>/home/units/Fak_II/biomodeling/gaussian/modules:$MODULEPATH<html>“</html> (Biomodeling Group)

B) <html> Prof. Kaupp's group: </html>

Turbomole 7.3 (SMP and MPI binaries)
Loading module: export MODULEPATH=<html>„</html>/home/units/Fak_II/quantenchemie/turbomole/modules:$MODULEPATH<html>“</html>
MRCC (OpenMP binaries; no MPI)
Loading module: export MODULEPATH=<html>„</html>/home/units/Fak_II/quantenchemie/mrcc/modules:$MODULEPATH<html>“</html>