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Error in reading fcidump #47

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anbenali opened this issue Sep 8, 2022 · 0 comments

anbenali commented Sep 8, 2022

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.

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