Molpro Quantum Chemistry Software - Product Catalogue

Licences for Molpro are available for different combinations of "type" (who can use the licence, and where), "duration" (how long the licence lasts), as given in the table below. All licences are normally offered for a fixed term of one, two, three or four years. These licences include patches and updates to the latest version of the software throughout their duration.

Licence fees (in Euro) for academic institutions
Licence fee/EUR
Duration (years)
Type Description Licence conditions 1 2 3 4 discount for extension/EUR (a)
group    Molpro for a research group, non-commercial. More...
1250 2100 2950 3800 200
site    Molpro for a site, non-commercial. More...
3750 6300 8850 11400 600
service    Molpro service licence, non-commercial. More...
5000 8400 11800 15200 800
node8    Molpro for a single designated Mac or linux workstation with up to 8 cores, non-commercial. More...
250 400 550 700 50
node32    Molpro for a single designated Mac or linux workstation with up to 32 cores, non-commercial. More...
500 850 1200 1550 75

(a) Provided there is no break in continuity of the licence.

Please note that the given licence fees do not include Value Added Tax, which will be charged where appropriate.

Licence fees for commercial use are provided on request.

Payments should be made in EURO by bank transfer and all bank charges have to be covered by the licensee.
Payments in US-Dollar attract a 5% surcharge.

Discounts

30% for second and subsequent instances of a group licence, provided the end date of the additional licences is not later than 6 months after the end of the first licence. The additional licences must be for the same organisation or university at the same geographical location, and running concurrently with the first licence.

We will also discount by the remaining term value of any licence obtained within the last 6 months which is superseded by a more expensive new licence. This could apply, for example, if a single-machine licence is replaced by a group licence, or an increase of the licence term.

If a site licence is purchased, the remaining term value of any other licences purchased within the same institution at the same geographical location within the last 6 months will be discounted.

Obtaining a licence

The procedure for making an order can be found here.

We offer 1-month trial licences (linux or Mac); to submit a request go here.

We operate a scheme to make Molpro available to researchers in selected developing countries; see here for further information.

Export restrictions

Molpro as distributed contains libraries provided by Intel under licence, and we are therefore unable to distribute Molpro to certain countries (Cuba, Iran, North Korea, Sudan, Syria, and the Crimea region of Ukraine) because of U.S. Export Administration Regulations and other U.S. law.

Source code for self-building

Molpro is normally distributed in binary format for deployment on workstations and laptops, and this should be adequate and give close to optimum performance. For optimum building of the software on parallel and/or specialist architectures, you can apply for access to source code, in order to optimise the use of compilers and libraries. Those who hold service licences are automatically given access to source code; holders of group and site licence will normally be given it on request.

Developer access

We welcome enquiries from those who would like to extend Molpro, and will normally be able to offer access to the version-controlled code repository to those licensees who need it. Various general interfaces are available for adapting to other codes.