Hartree Fock solver
OTHER License
hfsolver
is a quantum chemistry solver. Features:
Bases:
finite element (FE), Slater Type Orbitals (STO) and Gaussian Type Orbitals (GTO) basis for atoms
GTO for molecules. It can use Libint <http://sourceforge.net/p/libint>
_ for
two-particle integrals or the built-in code based on
PyQuante <http://pyquante.sourceforge.net/>
_.
Only cmake, Lapack and gfortran is needed::
cmake .
make
Additional features can be turned on in CMakeCache.txt
or on the command
line. See the CMakeLists.txt
for available options.
.. image:: https://travis-ci.org/certik/hfsolver.png?branch=master :target: https://travis-ci.org/certik/hfsolver
All code is BSD licensed, except for files taken from other projects (some use
a BSD license, some do not). See the
LICENSE <https://github.com/certik/hfsolver/blob/master/LICENSE>
_ file for
more information.