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warning for FCI NYI

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This commit is contained in:
Pierre-Francois Loos 2022-12-01 09:45:30 +01:00
parent bdbd201d6c
commit ab2857b377
1 changed files with 2 additions and 1 deletions
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src/QuAcK/QuAcK.f90
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@ -1226,7 +1226,8 @@ program QuAcK
if(doFCI) then
call cpu_time(start_FCI)
call FCI(nBas,nC,nO,nV,nR,ERI_MO,eHF)
write(*,*) ' FCI is not yet implemented! Sorry.'
! call FCI(nBas,nC,nO,nV,nR,ERI_MO,eHF)
call cpu_time(end_FCI)
t_FCI = end_FCI - start_FCI