Popular repositories Loading

1. rho2_ops rho2_ops Public

   Given the 2-RDM matrix in primitives and the gaussian primitives basis, RHO2_OPS can compute Intracule, Extracule, and Total Position Spread.

   C++ 5 1

2. standalone_noft standalone_noft Public

   Fortran 3

3. DoNOFsw DoNOFsw Public

   Forked from DoNOF/DoNOFsw

   Donostia Natural Orbital Functional Software

   BASIC 2

4. rho_ops rho_ops Public

   Reading FCHK, WFN, and WFX files and computing properties.

   C++ 2

5. operators operators Public

   Normal ordering and operations related to creation and annihilation operators

   C++

6. QuAcK QuAcK Public

   Forked from pfloos/QuAcK

   QuAcK: a software for emerging quantum electronic structure methods

   Fortran