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qmcpack/labs/lab3_advanced_molecules/REFERENCE/GAMESS/DFT
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Shiv 03fd8e42b8 Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00
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B3LYP Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00
BLYP Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00
HF Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00
PBE Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00
PBE0 Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00