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Add orca import #1326

Merged
merged 9 commits into from
Sep 2, 2023
Merged

Add orca import #1326

merged 9 commits into from
Sep 2, 2023

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Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
avogadro/quantumio/orca.cpp Dismissed Show dismissed Hide dismissed
avogadro/quantumio/orca.cpp Fixed Show fixed Hide fixed
columns.resize(numColumns);
while (list.size() > 2) {
orcaOrbitals.push_back(list[1]);
// columns.resize(numColumns);

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github-actions bot commented Sep 1, 2023

Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-Latest.tar.gz
Artifacts will only be retained for 90 days.

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avo-bot commented Sep 1, 2023

This pull request has been mentioned on Avogadro Discussion. There might be relevant details there:

https://discuss.avogadro.cc/t/opening-orca-molecular-orbital-generations-in-avogadro-1-97-0/4806/7

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
@ghutchis ghutchis linked an issue Sep 2, 2023 that may be closed by this pull request
Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
@ghutchis ghutchis added the file-format relevant to IO file formats label Sep 2, 2023
avogadro/quantumio/orca.cpp Fixed Show fixed Hide fixed
avogadro/quantumio/orca.cpp Fixed Show fixed Hide fixed
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github-actions bot commented Sep 2, 2023

Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-Latest.tar.gz
Artifacts will only be retained for 90 days.

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
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github-actions bot commented Sep 2, 2023

Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-Latest.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
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github-actions bot commented Sep 2, 2023

Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-Latest.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
@github-actions
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github-actions bot commented Sep 2, 2023

Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-Latest.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

@ghutchis ghutchis merged commit 2097995 into OpenChemistry:master Sep 2, 2023
18 of 20 checks passed
@ghutchis ghutchis deleted the add-orca-import branch September 2, 2023 22:53
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github-actions bot commented Sep 3, 2023

Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-Latest.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

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"Native" Orca reader
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