The standard from pyscf (our source of fcidump files) is the following
&FCI NORB=96,NELEC=42,MS2=0,
ORBSYM=XXX
ISYM=1,
\END
We read
&FCI NORB= 96 , NELEC= 42 , MS2= 0 ,
ORBSYM=XXX
ISYM=1,
This is minor but annoying to fix due to the crazy sizes of fcidump files.
The standard from pyscf (our source of fcidump files) is the following
We read
This is minor but annoying to fix due to the crazy sizes of fcidump files.