Improve printout - Githubissues

dftd4 / cpp-d4

C++ port of DFT-D4

GNU Lesser General Public License v3.0

7 stars 9 forks source link

Improve printout #19

Closed marvinfriede closed 11 months ago

marvinfriede commented 1 year ago

--grad flag now has an effect
print gradient if requested

ToDo: Merge ghost/non atom handling and rebase.