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berquistberquist
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FChk: add outputs from unconverged calculations
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‎FChk/Gaussian03/dvb_gopt_unconverged.fchk‎

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‎FChk/Gaussian16/dvb_gopt_unconverged.fchk‎

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‎FChk/QChem5.3/dvb_gopt_unconverged.in.fchk‎

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‎FChk/QChem5.3/dvb_sp_unconverged.in.fchk‎

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‎FChk/README.md‎

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‎regressionfiles.yaml‎

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@@ -128,6 +128,10 @@ regressions:
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- loc_entry: DALTON/DALTON-2018/tdpbe_2000_sym.out
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- loc_entry: DALTON/DALTON-2018/tdpbe_normal.out
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- loc_entry: DALTON/DALTON-2018/tdpbe_normal_sym.out
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- loc_entry: FChk/Gaussian03/dvb_gopt_unconverged.fchk
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- loc_entry: FChk/Gaussian16/dvb_gopt_unconverged.fchk
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- loc_entry: FChk/QChem5.3/dvb_gopt_unconverged.in.fchk
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- loc_entry: FChk/QChem5.3/dvb_sp_unconverged.in.fchk
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- loc_entry: GAMESS-UK/GAMESS-UK6.0/dscf_4.out
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- loc_entry: GAMESS-UK/GAMESS-UK6.0/duhf_1.out
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- loc_entry: GAMESS-UK/GAMESS-UK7.0/dvb_gopt.out

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