qmcpack/labs/lab3_advanced_molecules/exercises/ex3_multi-slater-jastrow/casscf/gms
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.cas.dat labs: ``workstation'' version of molecular lab 2016-05-19 03:46:32 +00:00
h2o.cas.inp Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00
h2o.cas.out labs: ``workstation'' version of molecular lab 2016-05-19 03:46:32 +00:00
h2o.cas_rerun.dat labs: ``workstation'' version of molecular lab 2016-05-19 03:46:32 +00:00
h2o.cas_rerun.inp Fixes pseudopotentials and basis set in the input files for the Labs. 2017-02-21 13:14:03 -05:00
h2o.cas_rerun.out labs: ``workstation'' version of molecular lab 2016-05-19 03:46:32 +00:00