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Support periodic systems
enhancement
New feature or request
#70
opened Jan 23, 2025 by
matterhorn103
Reaction path finding
enhancement
New feature or request
xtb
#40
opened Nov 8, 2024 by
matterhorn103
Add molecular dynamics back
enhancement
New feature or request
xtb
#39
opened Nov 8, 2024 by
matterhorn103
AutoIR workflow for averaged IR spectra
CREST
enhancement
New feature or request
#27
opened Oct 18, 2024 by
matterhorn103
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