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qmcpack/labs/lab3_advanced_molecules/REFERENCE/GAMESS/DFT/PBE0
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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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H2O.PBE0.inp Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00
H2O.PBE0.output cut down file set for the labs (still large) 2016-05-05 20:24:55 +00:00
H2O.PBE0.wfs.xml cut down file set for the labs (still large) 2016-05-05 20:24:55 +00:00
H2O.ptcl.xml cut down file set for the labs (still large) 2016-05-05 20:24:55 +00:00