File tree Expand file tree Collapse file tree 3 files changed +18
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Expand file tree Collapse file tree 3 files changed +18
-18
lines changed Original file line number Diff line number Diff line change @@ -51,14 +51,14 @@ attributes ADF CFOUR DALTON
5151`nsocoeffs `_ 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 T/D T/D T/D T/D
5252`nsooccnos `_ 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 T/D T/D T/D T/D
5353`optdone `_ √ √ √ T/D √ T/D √ √ √ √ √ T/D T/D √ √ √ √ √ T/D
54- `optstatus `_ 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
54+ `optstatus `_ 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
5555`polarizabilities `_ T/D T/D √ √ √ T/D T/D √ T/D √ T/D T/D T/D √ √ T/D √ T/D T/D
5656`pressure `_ √ T/D T/D T/D √ T/D √ √ √ T/D √ T/D T/D √ √ T/D √ T/D T/D
57- `rotconsts `_ 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 T/D T/D
58- `scancoords `_ 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 T/D T/D
59- `scanenergies `_ 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 T/D T/D
60- `scannames `_ 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 T/D T/D
61- `scanparm `_ 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 T/D T/D
57+ `rotconsts `_ 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 T/D
58+ `scancoords `_ 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 T/D
59+ `scanenergies `_ 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 T/D
60+ `scannames `_ 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 T/D
61+ `scanparm `_ 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 T/D
6262`scfenergies `_ √ √ √ √ √ √ √ √ √ √ √ √ T/D √ √ √ √ √ √
6363`scftargets `_ √ √ √ T/D √ T/D √ √ √ √ √ T/D T/D √ √ √ √ √ T/D
6464`scfvalues `_ √ √ √ T/D √ T/D √ √ √ √ √ T/D T/D √ √ √ √ √ T/D
Original file line number Diff line number Diff line change 11621162< td > < p > T/D</ p > </ td >
11631163< td > < p > T/D</ p > </ td >
11641164< td > < p > √</ p > </ td >
1165- < td > < p > T/D </ p > </ td >
1165+ < td > < p > √ </ p > </ td >
11661166< td > < p > T/D</ p > </ td >
11671167< td > < p > T/D</ p > </ td >
11681168< td > < p > T/D</ p > </ td >
12251225< td > < p > T/D</ p > </ td >
12261226< td > < p > T/D</ p > </ td >
12271227< td > < p > √</ p > </ td >
1228- < td > < p > T/D </ p > </ td >
1228+ < td > < p > √ </ p > </ td >
12291229< td > < p > T/D</ p > </ td >
12301230< td > < p > T/D</ p > </ td >
12311231< td > < p > T/D</ p > </ td >
12461246< td > < p > T/D</ p > </ td >
12471247< td > < p > T/D</ p > </ td >
12481248< td > < p > √</ p > </ td >
1249- < td > < p > T/D </ p > </ td >
1249+ < td > < p > √ </ p > </ td >
12501250< td > < p > T/D</ p > </ td >
12511251< td > < p > T/D</ p > </ td >
12521252< td > < p > T/D</ p > </ td >
12671267< td > < p > T/D</ p > </ td >
12681268< td > < p > T/D</ p > </ td >
12691269< td > < p > √</ p > </ td >
1270- < td > < p > T/D </ p > </ td >
1270+ < td > < p > √ </ p > </ td >
12711271< td > < p > T/D</ p > </ td >
12721272< td > < p > T/D</ p > </ td >
12731273< td > < p > T/D</ p > </ td >
12881288< td > < p > T/D</ p > </ td >
12891289< td > < p > T/D</ p > </ td >
12901290< td > < p > √</ p > </ td >
1291- < td > < p > T/D </ p > </ td >
1291+ < td > < p > √ </ p > </ td >
12921292< td > < p > T/D</ p > </ td >
12931293< td > < p > T/D</ p > </ td >
12941294< td > < p > T/D</ p > </ td >
13091309< td > < p > T/D</ p > </ td >
13101310< td > < p > T/D</ p > </ td >
13111311< td > < p > √</ p > </ td >
1312- < td > < p > T/D </ p > </ td >
1312+ < td > < p > √ </ p > </ td >
13131313< td > < p > T/D</ p > </ td >
13141314< td > < p > T/D</ p > </ td >
13151315< td > < p > T/D</ p > </ td >
Original file line number Diff line number Diff line change @@ -1556,7 +1556,7 @@ <h2>Details of current implementation<a class="headerlink" href="#details-of-cur
15561556< td > < p > T/D</ p > </ td >
15571557< td > < p > T/D</ p > </ td >
15581558< td > < p > √</ p > </ td >
1559- < td > < p > T/D </ p > </ td >
1559+ < td > < p > √ </ p > </ td >
15601560< td > < p > T/D</ p > </ td >
15611561< td > < p > T/D</ p > </ td >
15621562< td > < p > T/D</ p > </ td >
@@ -1619,7 +1619,7 @@ <h2>Details of current implementation<a class="headerlink" href="#details-of-cur
16191619< td > < p > T/D</ p > </ td >
16201620< td > < p > T/D</ p > </ td >
16211621< td > < p > √</ p > </ td >
1622- < td > < p > T/D </ p > </ td >
1622+ < td > < p > √ </ p > </ td >
16231623< td > < p > T/D</ p > </ td >
16241624< td > < p > T/D</ p > </ td >
16251625< td > < p > T/D</ p > </ td >
@@ -1640,7 +1640,7 @@ <h2>Details of current implementation<a class="headerlink" href="#details-of-cur
16401640< td > < p > T/D</ p > </ td >
16411641< td > < p > T/D</ p > </ td >
16421642< td > < p > √</ p > </ td >
1643- < td > < p > T/D </ p > </ td >
1643+ < td > < p > √ </ p > </ td >
16441644< td > < p > T/D</ p > </ td >
16451645< td > < p > T/D</ p > </ td >
16461646< td > < p > T/D</ p > </ td >
@@ -1661,7 +1661,7 @@ <h2>Details of current implementation<a class="headerlink" href="#details-of-cur
16611661< td > < p > T/D</ p > </ td >
16621662< td > < p > T/D</ p > </ td >
16631663< td > < p > √</ p > </ td >
1664- < td > < p > T/D </ p > </ td >
1664+ < td > < p > √ </ p > </ td >
16651665< td > < p > T/D</ p > </ td >
16661666< td > < p > T/D</ p > </ td >
16671667< td > < p > T/D</ p > </ td >
@@ -1682,7 +1682,7 @@ <h2>Details of current implementation<a class="headerlink" href="#details-of-cur
16821682< td > < p > T/D</ p > </ td >
16831683< td > < p > T/D</ p > </ td >
16841684< td > < p > √</ p > </ td >
1685- < td > < p > T/D </ p > </ td >
1685+ < td > < p > √ </ p > </ td >
16861686< td > < p > T/D</ p > </ td >
16871687< td > < p > T/D</ p > </ td >
16881688< td > < p > T/D</ p > </ td >
@@ -1703,7 +1703,7 @@ <h2>Details of current implementation<a class="headerlink" href="#details-of-cur
17031703< td > < p > T/D</ p > </ td >
17041704< td > < p > T/D</ p > </ td >
17051705< td > < p > √</ p > </ td >
1706- < td > < p > T/D </ p > </ td >
1706+ < td > < p > √ </ p > </ td >
17071707< td > < p > T/D</ p > </ td >
17081708< td > < p > T/D</ p > </ td >
17091709< td > < p > T/D</ p > </ td >
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