Remove by-hand orientation of molecule for default test
Remove by-hand orientation of molecule for default test

gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf,gkc1000/pyscf,sunqm/pyscf,sunqm/pyscf,gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf