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University of Cambridge > Department of Chemistry > Theoretical Chemistry > Computer Support

CUC³ Software

Local workstations and servers generally run Linux: usually either Debian or SuSE. These machines have a variety of free and proprietary packages installed. A list of software installed on the standard SuSE workstations is available. For software installed on the servers, please see the local documentation for that server. The /info and /usr/share/doc directories on the machine are a good place to start looking.

The University Public Workstation Facility (PWF) provides Windows and Mac machines in the cybercafe, library, and G29 within the department. These machines have licences for Microsoft Office and many other useful packages. Almost everyone working in the Theory sector will be entitled to a PWF account, so this is often the best method to access Windows/Mac software if you only need it infrequently. Those needing access to Windows apps from their Linux desktop can use the department-wide Terminal Services Service. Please note that you must purchase your own software licences for applications such as Office for this service.

Attention is drawn to the department's Software Policy. All proprietary software used in the sector must be recorded on the list kept by the group's computer representative, including any on personal laptops. The computer representative for groups in the Theory sector is currently Catherine Pitt.

The University Computing Service has a Software Sales section which sells some software at academic prices to members of the University. There are often restrictions on the use of such software.

If the package you want doesn't seem to be installed anywhere in the sector, please ask for it as it may be possible to obtain it. Suggestions for useful new packages to install are always welcome.

Here's a catchall list of local documentation for software. Everything here can be found somewhere in the sector, but may not be on all machines or under active maintenance; see individual pages for details.

Chemistry

Email

Maths

  • Mathematica (Symbolic maths package)
  • R (statistical computing environment)

MPI

Programming tools

Plotting

Python

Visualisation

Utilities