Quantum Monte Carlo in Python
Quantum Monte Carlo algorithms implemented in Python.
The main purpose for this code is experimenting with QMC algorithms.
For the initial release, the plan is to work towards
- multiple forms for jastrow factors
- multiple VMC optimization algorithms
See the Sourceforge wiki for design notes.
No packaged releases are available yet. Access to quameon is through the Subversion repository.
See the Quameon Sourceforge page.
Required and other software
See the wiki for more information about which version of these packages to use.
- Scipy (and NumPy) for linear algebra and some optimization routines
- (optional) PyQuante - quantum chemistry written in Python. Used to get HF single-particle orbitals and standard gaussian basis sets.
- (optional) Sympy - symbolic mathematics. Currently used to generate code for some derivatives. More information on the wiki page about code generation