xtb vtight option?
Posted: Wed Apr 10, 2024 5:34 pm
For xTB jobs involving optimization, perhaps webmo could add a "Level" drop down box with the crude, sloppy loose lax normal tight vtight extreme options.
As it stands now with WebMO 23 and xtb 6.7, if I try to specify one of the above on the Preview tab (i.e. --opt extreme ) WebMO overwrites that on the command line with "--opt" . If I want to use --opt extreme, I would have to run xtb outside webmo. Or, I could attempt to customize webmo..
As it stands now with WebMO 23 and xtb 6.7, if I try to specify one of the above on the Preview tab (i.e. --opt extreme ) WebMO overwrites that on the command line with "--opt" . If I want to use --opt extreme, I would have to run xtb outside webmo. Or, I could attempt to customize webmo..