Allow to skip run() for intermediate instances in a method chain#3168
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sunqm wants to merge 5 commits intopyscf:masterfrom
Open
Allow to skip run() for intermediate instances in a method chain#3168sunqm wants to merge 5 commits intopyscf:masterfrom
sunqm wants to merge 5 commits intopyscf:masterfrom
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jeanwsr
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Mar 20, 2026
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When callling post-HF methods or property calculations, it is no longer necessary to call
.run()on intermediate steps. The underlying mean-field object or the.baseattribute for gradients methods will be initialized automatically.