Pull requests: grimme-lab/xtb
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add json output for tblite
enhancement
New feature or request
#985
opened Mar 7, 2024 by
Albkat
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Sanitize unit test and increase # significant digits PC gradients
#721
opened Nov 17, 2022 by
pultar
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Adds output of Hessians to xtb when acting as an external program for Gaussian 16
#363
opened Oct 5, 2020 by
clavigne
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What’s not been updated in a month: updated:<2024-04-15.