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Commit d8efd52

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shivupaberquist
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Add Orca 4.0 regression tests (#122)
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ORCA/ORCA4.0/Trp_polar.out

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ORCA/ORCA4.0/dvb_gopt.out

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ORCA/ORCA4.0/dvb_ir.out

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ORCA/ORCA4.0/dvb_raman.out

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ORCA/ORCA4.0/dvb_rocis.out

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ORCA/ORCA4.0/dvb_sp.out

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ORCA/ORCA4.0/dvb_sp_un.out

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ORCA/ORCA4.0/dvb_td.out

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regressionfiles.txt

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@@ -376,6 +376,14 @@ ORCA/ORCA4.0/IrCl6_sp.out
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ORCA/ORCA4.0/CO2_freqs.out
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ORCA/ORCA4.0/H2-_CASSCF_opt.out
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ORCA/ORCA4.0/comment_or_blank_line.out
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ORCA/ORCA4.0/Trp_polar.out
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ORCA/ORCA4.0/dvb_gopt.out
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ORCA/ORCA4.0/dvb_ir.out
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ORCA/ORCA4.0/dvb_raman.out
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ORCA/ORCA4.0/dvb_rocis.out
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ORCA/ORCA4.0/dvb_sp.out
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ORCA/ORCA4.0/dvb_sp_un.out
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ORCA/ORCA4.0/dvb_td.out
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ORCA/ORCA4.1/725.out
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ORCA/ORCA4.1/750.out
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ORCA/ORCA4.1/raw_failed_run_from_issue_426.out

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