From e84770bf29780d092d7ccf080da299cbd5aeefea Mon Sep 17 00:00:00 2001 From: Eric Berquist Date: Thu, 17 Oct 2024 11:55:47 -0400 Subject: [PATCH] sort regressionfiles.yaml --- regressionfiles.yaml | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/regressionfiles.yaml b/regressionfiles.yaml index 9310dbc..eb26f71 100644 --- a/regressionfiles.yaml +++ b/regressionfiles.yaml @@ -509,9 +509,10 @@ regressions: - loc_entry: Gaussian/Gaussian09/water_gaussian.inp.log - loc_entry: Gaussian/Gaussian16/Benzene_anion.log - loc_entry: Gaussian/Gaussian16/C01_CC.log - - loc_entry: Gaussian/Gaussian16/co_pbe1pbe_631ppGss.log - loc_entry: Gaussian/Gaussian16/Ethane.mp5.log - loc_entry: Gaussian/Gaussian16/H3_natcharge.log + - loc_entry: Gaussian/Gaussian16/Pyridine_opt-eomccsd.log + - loc_entry: Gaussian/Gaussian16/co_pbe1pbe_631ppGss.log - loc_entry: Gaussian/Gaussian16/issue1153.log - loc_entry: Gaussian/Gaussian16/issue851.log - loc_entry: Gaussian/Gaussian16/issue962.log @@ -519,7 +520,6 @@ regressions: - loc_entry: Gaussian/Gaussian16/naturalspinorbitals_parsing.log - loc_entry: Gaussian/Gaussian16/output.txt.issue754.log - loc_entry: Gaussian/Gaussian16/water.log - - loc_entry: Gaussian/Gaussian16/Pyridine_opt-eomccsd.log - loc_entry: Gaussian/Gaussian98/C_bigmult.log - loc_entry: Gaussian/Gaussian98/NIST_CCCBDB_1himidaz_m21b0.out - loc_entry: Gaussian/Gaussian98/NIST_CCCBDB_1himidaz_m23b6.out @@ -752,17 +752,17 @@ regressions: - loc_entry: ORCA/ORCA4.1/single_atom_freq.out - loc_entry: ORCA/ORCA4.2/947.out - loc_entry: ORCA/ORCA4.2/MP2-gradient.out + - loc_entry: ORCA/ORCA4.2/a_DLPNO.txt - loc_entry: ORCA/ORCA4.2/casscf.out - loc_entry: ORCA/ORCA4.2/cope.out - loc_entry: ORCA/ORCA4.2/ligando-30-SRM1-S_ZINDO.out - loc_entry: ORCA/ORCA4.2/long-input.out - loc_entry: ORCA/ORCA4.2/longer-input.out - loc_entry: ORCA/ORCA4.2/water_dlpno_ccsd.out - - loc_entry: ORCA/ORCA4.2/a_DLPNO.txt - loc_entry: ORCA/ORCA5.0/ADBNA_Me_Mes_MesCz.log + - loc_entry: ORCA/ORCA5.0/Benzene_opt_etsyms.log - loc_entry: ORCA/ORCA5.0/dvb_soc.log - loc_entry: ORCA/ORCA5.0/steom_orbs.log - - loc_entry: ORCA/ORCA5.0/Benzene_opt_etsyms.log - loc_entry: Psi3/Psi3.4/dvb_sp_hf.out tests: - Psi3SPTest