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CMMDE
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A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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Tag: Branch: Tree: a801d162b2
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${ item.name }
Create tag ${ searchTerm }
Create branch ${ searchTerm }
from 'a801d162b2'
${ noResults }
CMMDE/examples/energetics/o2/cmmd.xyz

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First launching
2 years ago
2
Coordinates from ORCA-job cmmd
O 1.02719374375572 -0.09240000000000 -0.00883000000000
O 2.22862625624428 -0.09240000000000 -0.00883000000000