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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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RMG / QMCPQCK interface tests #33

Closed WenchangLu closed 1 year ago

WenchangLu commented 5 years ago

pass tests of atomO_pp for both RMG and RMG_ON. The test log file is uploaded. Also test.log