The first example shows how to compute a potential energy surface for water.
Input: h2o_pes_ccsdt.com Output: h2o_pes_ccsdt.out
Output: h2o_pes_ccsdt.out
The next example shows how to loop over many methods.
Input: h2o_manymethods.com Output: h2o_manymethods.out
Output: h2o_manymethods.out