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DataTrails
pyscf-diamond

P

pyscf-diamond

Project ID: 10235

1 Commit
1 Branch
0 Tags
102 KB Project Storage

Calculation of the energy for an 8-carbon diamond cell (low accuracy QM method with py-scf).

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Copy SSH clone URLgit@code.ornl.gov:datatrails/pyscf-diamond.git
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