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xtb_docs

Thomas3R/xtb_docs

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8

Last push

27mo ago

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Update GFN-FF wrtopo
2b2819eThomas Rose27mo ago
Fix option in compilation instructions (#116)
35736d0Jakob Lykke Andersen30mo ago
Update gfnff.rst
eeaf515Thomas3R30mo ago
Update GFN-FF example
b4e5ddaThomas Rose30mo ago
Add description of periodic boundary conditions for GFN-FF
5a74ce6Thomas Rose30mo ago

GFN-FF output files (#114)

7bafbccalbert32mo ago

MAINT: Minor typo (#113)

bc25727Rohit Goswami32mo ago

add total energy (#112)

493d8a6albert32mo ago

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