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add ONIOM references and update derived mode #853

Merged
merged 3 commits into from
Aug 24, 2023
Merged

add ONIOM references and update derived mode #853

merged 3 commits into from
Aug 24, 2023

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Albkat
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@Albkat Albkat commented Aug 23, 2023

update oniom.f90 w.r.t. https://doi.org/10.1039/D3CP02178E publication

@Albkat
add ONIOM references and update derived mode
f9ba5c4 
Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
@Albkat Albkat requested review from awvwgk and MtoLStoN August 23, 2023 12:21
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MtoLStoN previously approved these changes Aug 23, 2023
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awvwgk reviewed Aug 23, 2023
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I think the reference should be part of the Readme and output as well.

@Albkat
update references
20dc935 
Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
@Albkat Albkat requested review from awvwgk and MtoLStoN August 24, 2023 09:26
@Albkat Albkat merged commit 590bc82 into grimme-lab:main Aug 24, 2023
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@Albkat Albkat deleted the derivative branch August 24, 2023 11:26
gorges97 pushed a commit to gorges97/xtb that referenced this pull request Mar 27, 2024
@Albkat @gorges97
add ONIOM references and update derived mode (grimme-lab#853)
f9e0a20 
* add ONIOM references and update derived mode

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>

* Update oniom.f90

* update references

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>

---------

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
Signed-off-by: Johannes Gorges <58849467+gorges97@users.noreply.github.com>
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@MtoLStoN MtoLStoN MtoLStoN approved these changes

@awvwgk awvwgk Awaiting requested review from awvwgk

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@Albkat @awvwgk @MtoLStoN