molsturm

Repositories

• gscf

  A general library for solving self-consistent field problems

  quantum-chemistry scf electronic-structure non-linear-eigenproblem self-consistent-field
  C++ 1 4 1 1 Updated Sep 2, 2018

• gint

  Integral library multiplexer for electronic structure theory

  gaussian quantum-chemistry integrals electronic-structure sturmian
  C++ 0 2 5 0 Updated Sep 2, 2018

• molsturm

  A modular electronic structure theory code

  python quantum-chemistry hartree-fock electronic-structure sturmian
  Python 2 11 15 0 Updated Aug 11, 2018

• sturmint

  Integral library for Sturmian-type orbitals

  quantum-chemistry integrals electronic-structure sturmian coulomb-sturmian
  0 0 0 0 Updated Dec 1, 2017