We are writing to let you know about the release of Molpro version 2025.4.1 containing some new features, improvements and bug fixes, summarised at
https://www.molpro.net/manual/doku.php?id=recent_changes. Those who have a current licence for Molpro can obtain it now from
https://www.molpro.net/licensee/download .
Reminder: the graphical user input program iMolpro, which provides a complete platform for using Molpro on Windows, MacOS and Linux, including the running of jobs both locally and on remote servers, is open source and freely available. It contains an embedded copy of Molpro which can be used for educational purposes without registering for a licence. This embedded Molpro has restricted functionality, and its use for research is not permitted. If a full copy of Molpro is found locally, iMolpro uses that instead. For further details, see
https://github.com/molpro/iMolpro/blob/master/README.md; self-contained binaries for MacOS, Linux and Windows can be downloaded from
https://github.com/molpro/iMolpro/releases/latest We hope that you enjoy using Molpro, and look forward to any feedback you may have to offer.
Kind regards,
The Molpro Team
mol...@molpro.nethttps://www.molpro.net