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) and "use" (whether non-commercial or other types of use), as given in the table below, where the first and third characters making up the catalogue number specify type and use. All licences are normally offered for a fixed term of one, two, three or four years, and in the table below, y is a place-holder for the licence term in years. These licences include updates to the latest version of the software throughout their duration. Unless discounts apply (see below), the licence fee is calculated with s=1, and t=y, with the effect that the licence fee increment for the second and subsequent years is lower than the one-year fee. Details of other licences, including commercial use and longer terms, are available on request.

A discount of 30% is offered for the second and subsequent instance of a time-limited group licence, provided that the end date of the additional licences is not later than 6 months after the end date 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. This discount applies only to G licences in the table below. We will also discount by the full value of any licence obtained within the last 6 months which would be superseded by a more expensive new licence.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 value of any other licences purchased within the same institution at the same geographical location within the last 6 months will be discounted. These discounts do not apply to service licences.

Discounts are offered for version upgrades of existing unlimited-duration Molpro2015 licences to a version-unlimited superseding licence of the same type and use. For licences that started on or before June 30th 2017, the discount has the effect of reducing t in the table below to the larger of y-4+m/12 and zero, where m is the number of months, rounded down, since the start of the existing licence, and s=1. Where the start date of the existing licence is after June 30th 2017, an equivalent licence lasting 4 years from the original start date, and including updates, has already been created automatically, and when Molpro 2018 is released, it will be available immediately.

Fixed-term licences can be renewed. Provided that there is no break in continuity of the licence, the renewal fee can be calculated using s=0.5, t=y in the table below.

Catalogue number Description Licence fee /EUR Licence conditions
Gya Molpro for a research group, non-commercial. More... 400s+850t
Sya Molpro for a site, non-commercial. More... 1200s+2550t
Dya Molpro service licence, non-commercial. More... 1600s+3400t
Mya Molpro for a single designated Mac or linux workstation with up to 4 cores, non-commercial. More... 100s+150t
Nya Molpro for a single designated Mac or linux workstation with up to 32 cores, non-commercial. More... 150s+350t

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

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.