4 ms·
There is a lot of electronic structure in c and c++. For SMP there is psi4 and Orca also Garnet Chan has a new python C++ package. Then some widely used integra
by quadruplebond 9y ago
There is a lot of electronic structure in c and c++. For SMP there is psi4 and Orca also Garnet Chan has a new python C++ package. Then some widely used integral code generators generate c or c++ (libcints, Libint2)
On the parallel front MPQC has been around a long time and is C++.