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lines changed Original file line number Diff line number Diff line change @@ -14,7 +14,7 @@ attributes ADF DALTON FChk
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`charge `_ √ √ √ √ T/D √ √ √ √ √ √ T/D √ √ √ √ √ √
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`coreelectrons `_ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √
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`dispersionenergies `_ T/D √ T/D √ T/D T/D √ T/D T/D T/D T/D T/D √ √ √ √ T/D T/D
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- `enthalpy `_ T/D T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D T/D √ T/D √ T/D √
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+ `enthalpy `_ T/D T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D √ √ T/D √ T/D √
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`entropy `_ √ T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D √ √ T/D √ T/D T/D
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`etdips `_ T/D T/D √ T/D T/D T/D √ T/D T/D T/D T/D T/D T/D T/D T/D T/D √ T/D
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`etenergies `_ √ √ √ √ T/D T/D √ √ T/D T/D T/D T/D √ √ T/D √ √ T/D
@@ -28,7 +28,7 @@ attributes ADF DALTON FChk
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`fooverlaps `_ √ N/A T/D N/A T/D N/A N/A N/A N/A T/D T/D T/D N/A N/A N/A N/A T/D T/D
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`fragnames `_ √ N/A T/D N/A T/D N/A N/A N/A N/A T/D T/D T/D N/A N/A N/A N/A T/D T/D
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`frags `_ √ N/A T/D N/A T/D N/A N/A N/A N/A T/D T/D T/D N/A N/A N/A N/A T/D T/D
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- `freeenergy `_ T/D T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D T/D √ T/D √ T/D √
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+ `freeenergy `_ T/D T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D √ √ T/D √ T/D √
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`gbasis `_ T/D √ T/D √ T/D √ √ √ √ √ T/D T/D √ √ √ √ T/D T/D
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`geotargets `_ √ √ T/D √ T/D √ √ √ √ √ T/D T/D √ √ √ √ √ T/D
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`geovalues `_ √ √ T/D √ T/D √ √ √ √ √ T/D T/D √ √ √ √ √ T/D
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< a class ="reference external " href ="data_notes.html#charge "> charge</ a > √ √ √ √ T/D √ √ √ √ √ √ T/D √ √ √ √ √ √
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< a class ="reference external " href ="data_notes.html#coreelectrons "> coreelectrons</ a > √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √
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< a class ="reference external " href ="data_notes.html#dispersionenergies "> dispersionenergies</ a > T/D √ T/D √ T/D T/D √ T/D T/D T/D T/D T/D √ √ √ √ T/D T/D
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- < a class ="reference external " href ="data_notes.html#enthalpy "> enthalpy</ a > T/D T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D T/D √ T/D √ T/D √
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+ < a class ="reference external " href ="data_notes.html#enthalpy "> enthalpy</ a > T/D T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D √ √ T/D √ T/D √
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< a class ="reference external " href ="data_notes.html#entropy "> entropy</ a > √ T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D √ √ T/D √ T/D T/D
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< a class ="reference external " href ="data_notes.html#etdips "> etdips</ a > T/D T/D √ T/D T/D T/D √ T/D T/D T/D T/D T/D T/D T/D T/D T/D √ T/D
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< a class ="reference external " href ="data_notes.html#etenergies "> etenergies</ a > √ √ √ √ T/D T/D √ √ T/D T/D T/D T/D √ √ T/D √ √ T/D
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< a class ="reference external " href ="data_notes.html#fooverlaps "> fooverlaps</ a > √ N/A T/D N/A T/D N/A N/A N/A N/A T/D T/D T/D N/A N/A N/A N/A T/D T/D
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< a class ="reference external " href ="data_notes.html#fragnames "> fragnames</ a > √ N/A T/D N/A T/D N/A N/A N/A N/A T/D T/D T/D N/A N/A N/A N/A T/D T/D
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< a class ="reference external " href ="data_notes.html#frags "> frags</ a > √ N/A T/D N/A T/D N/A N/A N/A N/A T/D T/D T/D N/A N/A N/A N/A T/D T/D
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- < a class ="reference external " href ="data_notes.html#freeenergy "> freeenergy</ a > T/D T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D T/D √ T/D √ T/D √
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+ < a class ="reference external " href ="data_notes.html#freeenergy "> freeenergy</ a > T/D T/D T/D √ T/D T/D √ T/D T/D √ T/D T/D √ √ T/D √ T/D √
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< a class ="reference external " href ="data_notes.html#gbasis "> gbasis</ a > T/D √ T/D √ T/D √ √ √ √ √ T/D T/D √ √ √ √ T/D T/D
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< a class ="reference external " href ="data_notes.html#geotargets "> geotargets</ a > √ √ T/D √ T/D √ √ √ √ √ T/D T/D √ √ √ √ √ T/D
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< a class ="reference external " href ="data_notes.html#geovalues "> geovalues</ a > √ √ T/D √ T/D √ √ √ √ √ T/D T/D √ √ √ √ √ T/D
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