Hey
I remember the old crest used to tell us if we are bad at typing.
now It doesn't care anymore and perform stuff anyhow.
like so
` Command line input:
$ /home/lv82/lv82125/bin/crest3.0 xtb_optBS_vivescalcNEB_triplet_PGH2_to_opttriplet__image5_PGH2_to14HATproR_dmso_MEP_ALL_trj_166_CI.xyz -chrg 0 -uhf -gfn2 -alpb dmso -T 8 --cinp guess.inp
-chrg 0
-uhf -gfn2
--gfn2 : Use of GFN2-xTB requested.
--alpb dmso : implicit solvation
-T 8 (CPUs/Threads selected)
--cinp : guess.inp`
maybe at back the warning or just not starting it.
keep the good work, you guys are the best with the orca team
Hey
I remember the old crest used to tell us if we are bad at typing.
now It doesn't care anymore and perform stuff anyhow.
like so
` Command line input:
$ /home/lv82/lv82125/bin/crest3.0 xtb_optBS_vivescalcNEB_triplet_PGH2_to_opttriplet__image5_PGH2_to14HATproR_dmso_MEP_ALL_trj_166_CI.xyz -chrg 0 -uhf -gfn2 -alpb dmso -T 8 --cinp guess.inp
-chrg 0
-uhf -gfn2
--gfn2 : Use of GFN2-xTB requested.
--alpb dmso : implicit solvation
-T 8 (CPUs/Threads selected)
--cinp : guess.inp`
maybe at back the warning or just not starting it.
keep the good work, you guys are the best with the orca team