LibQsnake

LibQsnake is a BSD licensed library for the Qsnake distribution. It combines the power of many existing open-source packages into a common Python-based interface.

Compilation

Install into qsnake:

$ qsnake install .

Or as any other Python package:

$ python setup.py install

Licensing

All code in libqsnake is BSD licensed.

Tests

Tests are executed by:

$ ./test

Links

Currently we only interface abinit. However, we should interface all interesting opensource programs. Here is a (not exhaustive) list:

http://abinit.org/

http://openmx-square.org/

http://www.psicode.org/

http://www.quantum-espresso.org/

http://www.pwscf.org/

https://wiki.fysik.dtu.dk/gpaw/

https://wiki.fysik.dtu.dk/ase/

http://pyquante.sourceforge.net/

http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page

http://dft.physics.cornell.edu/

http://dcwww.camd.dtu.dk/campos/Dacapo/

another list is here:

http://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid_state_physics_software