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Non orthogonal dft - #176

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prehner merged 4 commits into
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non_orthogonal_dft
Sep 4, 2023
Merged

prehner merged 4 commits into
mainfrom
non_orthogonal_dft

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@prehner prehner commented Jul 21, 2023 •

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This is a MVSP for calculations of pores with non-orthorombic unit cells. Convolution integrals and integration is implemented, but to use non-orthorombic cells, the external potential has to be provided.

@prehner prehner added enhancement New feature or request DFT DFT related feature or issue labels Jul 26, 2023
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prehner marked this pull request as ready for review September 4, 2023 08:02
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prehner merged commit 48ac358 into main Sep 4, 2023
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prehner deleted the non_orthogonal_dft branch September 4, 2023 13:37
g-bauer pushed a commit that referenced this pull request Oct 16, 2023
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