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[feature] restore function to set density matrix #884

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merged 1 commit into from
Aug 21, 2023
Merged

[feature] restore function to set density matrix #884

merged 1 commit into from
Aug 21, 2023

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toxa81
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@toxa81 toxa81 commented Aug 21, 2023

We need to set density matrix to compute D_{ij} of PAW, otherwise the Hamiltonian definition is incomplete.

@toxa81 toxa81 added the feature label Aug 21, 2023
@toxa81 toxa81 self-assigned this Aug 21, 2023
simonpintarelli
simonpintarelli approved these changes Aug 21, 2023
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LGTM

@toxa81 toxa81 marked this pull request as ready for review August 21, 2023 13:20
@toxa81 toxa81 merged commit 99ede92 into develop Aug 21, 2023
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@toxa81 toxa81 deleted the feature/api-set-density-matrix branch August 21, 2023 13:20
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