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lines changed Original file line number Diff line number Diff line change @@ -131,6 +131,11 @@ def testADF_ADF2013_01_stopiter_MoOCl4_sp_adfout(logfile):
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# len(logfile.data.scfvalues[0]) == 11
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assert not hasattr (logfile .data , "scfvalues" )
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+ def testADF_ADF2016_fa2_adf_out (logfile ):
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+ """This logfile, without symmetry, should get atombasis parsed."""
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+ assert hasattr (logfile .data , "atombasis" )
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+ assert [b for ab in logfile .data .atombasis for b in ab ] == list (range (logfile .data .nbasis ))
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+
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# DALTON #
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def testDALTON_DALTON_2015_dalton_atombasis_out (logfile ):
Original file line number Diff line number Diff line change @@ -33,6 +33,7 @@ ADF/ADF2013.01/stopiter_dvb_un_sp.adfout
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ADF/ADF2013.01/stopiter_dvb_un_sp_c.adfout
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ADF/ADF2013.01/stopiter_MoOCl4-sp.adfout
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ADF/ADF2014.01/dvb_gopt_b_fullscf.out
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+ ADF/ADF2016/fa2.adf.out
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DALTON/DALTON-2013/C_bigbasis.aug-cc-pCVQZ.out
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DALTON/DALTON-2013/b3lyp_energy_dvb_sp_nosym.out
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DALTON/DALTON-2013/dvb_sp_hf_nosym.out
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