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SAD Property Types#165

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ryanmrichard merged 4 commits into
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sad_property_types
Jul 25, 2025
Merged

SAD Property Types#165
ryanmrichard merged 4 commits into
masterfrom
sad_property_types

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@jwaldrop107
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Description
Adds property types for initial density and atomic density matrix modules, which are need for the superposition of atomic densities (SAD) guess.

@jwaldrop107 jwaldrop107 requested a review from ryanmrichard July 24, 2025 21:18
@jwaldrop107 jwaldrop107 self-assigned this Jul 24, 2025
Comment thread include/simde/chemical_system/chemical_system.hpp Outdated
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I can't remember what info is available for the guess, i.e., if we only have operators and basis sets taking an Atom might not work.

Comment thread include/simde/chemical_system/atomic_density_matrix.hpp
This was referenced Jul 25, 2025
@ryanmrichard ryanmrichard merged commit 123f6f0 into master Jul 25, 2025
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@ryanmrichard ryanmrichard deleted the sad_property_types branch July 25, 2025 17:02
@jwaldrop107
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🚀 [bumpr] Bumped!
New version:v0.0.54
Changes:v0.0.53...v0.0.54

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2 participants