constrain DFT for ABACUS

abacusmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

GNU Lesser General Public License v3.0

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Closed 1041176461 closed 2 years ago

1041176461 commented 2 years ago

I add constrain DFT for ABACUS and an example for testing ocp_set.