Popular repositories Loading

1. CheMPS2 CheMPS2 Public

   Forked from SebWouters/CheMPS2

   CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry

   C++

2. psi4 psi4 Public

   Forked from psi4/psi4

   Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

   C++

3. tensor tensor Public

4. TCCG TCCG Public

   Let's dumping our codes here

   Python

5. Py_xDH Py_xDH Public

   Forked from ajz34/Py_xDH

   Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization

   Python