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regressionfiles.yaml

Lines changed: 13 additions & 13 deletions
Original file line numberDiff line numberDiff line change
@@ -746,10 +746,6 @@ regressions:
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- loc_entry: ORCA/ORCA4.0/miniprint.out
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- loc_entry: ORCA/ORCA4.1/725.out
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- loc_entry: ORCA/ORCA4.1/750.out
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- loc_entry: ORCA/ORCA4.1/orca_from_issue_736.out
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- loc_entry: ORCA/ORCA4.1/porphine.out
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- loc_entry: ORCA/ORCA4.1/raw_failed_run_from_issue_426.out
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- loc_entry: ORCA/ORCA4.1/single_atom_freq.out
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- loc_entry: ORCA/ORCA4.1/Trp_polar.out
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- loc_entry: ORCA/ORCA4.1/dvb_dispersion_bp86_d3zero.out
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- loc_entry: ORCA/ORCA4.1/dvb_gopt.inp
@@ -768,6 +764,10 @@ regressions:
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- loc_entry: ORCA/ORCA4.1/dvb_sp_un.out
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- loc_entry: ORCA/ORCA4.1/dvb_td.inp
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- loc_entry: ORCA/ORCA4.1/dvb_td.out
767+
- loc_entry: ORCA/ORCA4.1/orca_from_issue_736.out
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- loc_entry: ORCA/ORCA4.1/porphine.out
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- loc_entry: ORCA/ORCA4.1/raw_failed_run_from_issue_426.out
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- loc_entry: ORCA/ORCA4.1/single_atom_freq.out
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- loc_entry: ORCA/ORCA4.1/water_ccsd.inp
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- loc_entry: ORCA/ORCA4.1/water_ccsd.out
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- loc_entry: ORCA/ORCA4.1/water_ccsd_t.inp
@@ -776,7 +776,12 @@ regressions:
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- loc_entry: ORCA/ORCA4.1/water_mp2.out
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- loc_entry: ORCA/ORCA4.1/water_mp3.inp
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- loc_entry: ORCA/ORCA4.1/water_mp3.out
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- loc_entry: ORCA/ORCA4.2/947.out
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- loc_entry: ORCA/ORCA4.2/MP2-gradient.out
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- loc_entry: ORCA/ORCA4.2/Trp_polar.out
782+
- loc_entry: ORCA/ORCA4.2/a_DLPNO.txt
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- loc_entry: ORCA/ORCA4.2/casscf.out
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- loc_entry: ORCA/ORCA4.2/cope.out
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- loc_entry: ORCA/ORCA4.2/dvb_dispersion_bp86_d3zero.out
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- loc_entry: ORCA/ORCA4.2/dvb_gopt.inp
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- loc_entry: ORCA/ORCA4.2/dvb_gopt.out
@@ -798,23 +803,18 @@ regressions:
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- loc_entry: ORCA/ORCA4.2/dvb_sp_un.out
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- loc_entry: ORCA/ORCA4.2/dvb_td.inp
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- loc_entry: ORCA/ORCA4.2/dvb_td.out
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- loc_entry: ORCA/ORCA4.2/ligando-30-SRM1-S_ZINDO.out
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- loc_entry: ORCA/ORCA4.2/long-input.out
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- loc_entry: ORCA/ORCA4.2/longer-input.out
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- loc_entry: ORCA/ORCA4.2/water_ccsd.inp
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- loc_entry: ORCA/ORCA4.2/water_ccsd.out
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- loc_entry: ORCA/ORCA4.2/water_ccsd_t.inp
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- loc_entry: ORCA/ORCA4.2/water_ccsd_t.out
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- loc_entry: ORCA/ORCA4.2/water_dlpno_ccsd.out
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- loc_entry: ORCA/ORCA4.2/water_mp2.inp
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- loc_entry: ORCA/ORCA4.2/water_mp2.out
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- loc_entry: ORCA/ORCA4.2/water_mp3.inp
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- loc_entry: ORCA/ORCA4.2/water_mp3.out
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- loc_entry: ORCA/ORCA4.2/947.out
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- loc_entry: ORCA/ORCA4.2/MP2-gradient.out
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- loc_entry: ORCA/ORCA4.2/a_DLPNO.txt
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- loc_entry: ORCA/ORCA4.2/casscf.out
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- loc_entry: ORCA/ORCA4.2/cope.out
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- loc_entry: ORCA/ORCA4.2/ligando-30-SRM1-S_ZINDO.out
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- loc_entry: ORCA/ORCA4.2/long-input.out
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- loc_entry: ORCA/ORCA4.2/longer-input.out
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- loc_entry: ORCA/ORCA4.2/water_dlpno_ccsd.out
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- loc_entry: ORCA/ORCA5.0/ADBNA_Me_Mes_MesCz.log
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- loc_entry: ORCA/ORCA5.0/Benzene_opt_etsyms.log
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- loc_entry: ORCA/ORCA5.0/dvb_soc.log

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