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Change pdb no H error to warning. #910

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Merged
merged 1 commit into from
Nov 22, 2023
Merged

Change pdb no H error to warning. #910

merged 1 commit into from
Nov 22, 2023

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MtoLStoN
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Closes #909.

@MtoLStoN
Change pdb no H error to warning.
2b94481 
Signed-off-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com>
@MtoLStoN MtoLStoN mentioned this pull request Nov 22, 2023
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@MtoLStoN MtoLStoN merged commit d7cadbf into main Nov 22, 2023
@MtoLStoN MtoLStoN deleted the pdb_fix branch November 22, 2023 16:11
gorges97 pushed a commit to gorges97/xtb that referenced this pull request Mar 27, 2024
@MtoLStoN @gorges97
Change pdb no H error to warning. (grimme-lab#910)
f2babc7 
Signed-off-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com>
Signed-off-by: Johannes Gorges <58849467+gorges97@users.noreply.github.com>
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@Albkat Albkat Albkat approved these changes

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PDB structures without H atoms
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@MtoLStoN @Albkat