I tried to use geomeTRIC instead of the optking optimizer, using the example inputs given in the chapter “Interface to geomeTRIC” of the manual.
However, there seem to be no difference in the output file - whether I put in the engine=‘geometric’, optimizer_keywords=geometric_keywords into the optimize directive or not.
Do have to initialize sth before this works? Or is this another dumb error of mine?
Any hints appreciated,