GiacomoDG96

Results 1 issues of GiacomoDG96

Hi, I am trying to replicate the example https://github.com/pyscf/gpu4pyscf/blob/master/examples/00-h2o.py using a benzene molecule instead of water and I am obtaining the same error as replicating the https://github.com/pyscf/gpu4pyscf/blob/master/examples/07-transition_state.py example with the...