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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -15,7 +15,7 @@ attributes ADF DALTON FChk
1515`coreelectrons `_ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √
1616`dispersionenergies `_ T/D √ T/D √ T/D T/D √ T/D T/D T/D T/D T/D √ √ √ √ T/D T/D
1717`enthalpy `_ T/D T/D T/D √ T/D T/D √ √ T/D √ T/D T/D √ √ √ √ T/D √
18- `entropy `_ √ T/D T/D √ T/D T/D √ √ T/D √ T/D T/D √ √ √ √ T/D T/D
18+ `entropy `_ √ T/D T/D √ T/D T/D √ √ T/D √ T/D T/D √ √ √ √ T/D √
1919`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
2020`etenergies `_ √ √ √ √ T/D T/D √ √ T/D T/D T/D T/D √ √ T/D √ √ T/D
2121`etmagdips `_ 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
Original file line number Diff line number Diff line change 100100< a class ="reference external " href ="data_notes.html#coreelectrons "> coreelectrons</ a > √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √
101101< 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
102102< 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 √
103- < 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
103+ < 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 √
104104< 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
105105< 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
106106< a class ="reference external " href ="data_notes.html#etmagdips "> etmagdips</ 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
Original file line number Diff line number Diff line change @@ -495,7 +495,7 @@ <h2>Details of current implementation<a class="headerlink" href="#details-of-cur
495495< a class ="reference external " href ="data_notes.html#coreelectrons "> coreelectrons</ a > √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √ √
496496< 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
497497< 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 √
498- < 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
498+ < 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 √
499499< 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
500500< 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
501501< a class ="reference external " href ="data_notes.html#etmagdips "> etmagdips</ 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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