You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
hi Chgnet Developer,
i don't konw how to prepare json file for "make_graphs.py" ,
i think i should put stuctures,energy,force,stress but no magmom in jsonfile
1)what is the standard form of this json file? and what's the energy input? is it eV/atom or total energy ?
In fact I read data from local mongoDB,i have to prepare the data manual,
can you show me standand form of make_graphs.py input,
reacted with thumbs up emoji reacted with thumbs down emoji reacted with laugh emoji reacted with hooray emoji reacted with confused emoji reacted with heart emoji reacted with rocket emoji reacted with eyes emoji
-
hi Chgnet Developer,
i don't konw how to prepare json file for "make_graphs.py" ,
i think i should put stuctures,energy,force,stress but no magmom in jsonfile
1)what is the standard form of this json file? and what's the energy input? is it eV/atom or total energy ?
In fact I read data from local mongoDB,i have to prepare the data manual,
can you show me standand form of make_graphs.py input,
Thank you ~
Beta Was this translation helpful? Give feedback.
All reactions