more tests for different lattice types.

RMGDFT / rmgdft

RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.

GNU General Public License v2.0

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more tests for different lattice types. #45

Closed WenchangLu closed 1 year ago

WenchangLu commented 4 years ago

We need to add more tests for different lattice types. Probably from some crystal structure data base.

elbriggs commented 1 year ago

The delta test provides a wide selection of lattice types.