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qmcpack/labs/lab3_advanced_molecules/exercises/ex3_multi-slater-jastrow/casscf
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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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gms Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00
thres0.01 lab: molecules lab clean up 2016-06-06 22:11:45 +00:00