Reaction studies are no longer offered under New (9.1.1): tell us if you use them #331

From 9.1.1, New → Gas Phase Reaction Study and New → Condensed Phase Reaction Study are no longer offered in the Organizer.

• The gas phase study depends on DirDyVTST, whose last release was in 2008 and which is no longer distributed by its authors, with NWChem as the only code.
• The condensed phase study (Solvate, then NWChem plane-wave metadynamics) has not been tested in ECCE 8 or 9.

Studies that already exist in a project still open as before. NWChem's plane-wave module is still available in an ordinary NWChem calculation: choose PSPW or BAND in the Theory list (Car-Parrinello MD is a run type of PSPW).

If you use either study, please comment here with what you run. They can be switched back on, and the condensed phase study may come back with CP2K (#329). The plan for reaction rates is in #330.