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Enable hyphen separated range of atoms to modify mass #1179
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marcelmbn
merged 5 commits into
grimme-lab:main
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marcelmbn:feat/atomlist_for_mass_scaling
Feb 5, 2025
Merged
Enable hyphen separated range of atoms to modify mass #1179
marcelmbn
merged 5 commits into
grimme-lab:main
from
marcelmbn:feat/atomlist_for_mass_scaling
Feb 5, 2025
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Signed-off-by: Marcel Müller <[email protected]>
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marvinfriede
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marvinfriede
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marvinfriede
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Co-authored-by: Marvin Friede <[email protected]>
marcelmbn
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Feb 5, 2025
…nfiguration Signed-off-by: Marcel Müller <[email protected]>
Signed-off-by: Marcel Müller <[email protected]>
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marvinfriede
previously approved these changes
Feb 5, 2025
Signed-off-by: Marcel Müller <[email protected]>
marvinfriede
approved these changes
Feb 5, 2025
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Refers to the following feature
Situation before
before, only single entries like:
were possible.
Improvement
Hyphen-separated ranges of atoms can be read in, like: