File	Date	Author	Commit
Demos	2014-10-10	Ulf Lorenz	[4fa34c] Task 44: updated and finalized the squeezed sta...
deploy	2013-09-06	Ulf Lorenz	[8659fb] Cleanup: centralized the Makefile
doc	2014-08-27	Ulf Lorenz	[e121cd] Task 40: started work on the actual Redfield Bu...
include	2014-11-13	Ulf Lorenz	[f6192b] Task 41: fixed an error and used a simpler func...
src	2014-11-09	Ulf Lorenz	[9eac9f] Task 41: Made RedfieldBuilder return the operat...
test	2014-11-16	Ulf Lorenz	[d8a6c7] Finishing touches for the release:
CONTRIBUTORS	2013-09-16	Ulf Lorenz	[135bb4] added a contributor and changelog file. A bit l...
GPL.txt	2013-03-22	Ulf Lorenz	[9f157e] added license files
LICENSE	2014-11-16	Ulf Lorenz	[d8a6c7] Finishing touches for the release:
Makefile	2014-07-13	Ulf Lorenz	[ba365a] Task 38: Now test summaries are also output as xml
Makefile.config.template	2014-07-30	Ulf	[75d6dc] updated requirements and default settings
Makefile.files	2014-11-02	Ulf Lorenz	[a03cb9] Task 41: added a bit of documentation on the te...
NEWS	2014-11-16	Ulf Lorenz	[d8a6c7] Finishing touches for the release:
README	2014-11-16	Ulf Lorenz	[d8a6c7] Finishing touches for the release:

Read Me

Description
===========

This is a C++ library to numerically solve the Schroedinger equation for
distinguishable particles.

The code is under the GNU General Public License; see the accompagnying license
file for the lawyer text.

The current status in brief:
- you can solve the Schroedinger and the Liouville-von-Neumann equations
- Lindblad and Redfield dissipation is implemented
- only equally-spaced grids / plane wave expansions are implemented
- operators are defined for harmonic and Morse oscillators
- Runge-Kutta and Bulirsch-Stoer propagators are implemented

Also, there is some optimization lacking for complex Hamiltonians etc.
Naturally, we plan to extend this in the nearer future.


System requirements
===================

To be able to compile the code at all, you need the following:

* a compiler that implements the latest C++-11 standard.
  One of the later g++ (around version 4.7) or CLang++ version 3.2 should be fine.
* the tensor library that we use
    - clone it via git from https://github.com/juanjosegarciaripoll/tensor.git
    - compile and install it (usual autoconf setup)
    - note that you will need to enable FFTW support, which also requires the fftw libraries
      (run the configure script with --with-fftw)
* The boost libraries from http://www.boost.org
    - You need at least boost version 1.52
* The odeint library; although this is part of boost, we use some features that
  will only become available in boost 1.55 or 1.56, so you need a separate copy.
    - get it from via git from https://github.com/headmyshoulder/odeint-v2.git
* googlemock 1.7.0 for compiling the tests
  (also googletest, but this is included in googlemock)
    - get it from http://code.google.com/p/googletest/


Compilation and getting started
===============================

To compile the code, copy the file "Makefile.config.template" to Makefile.config,
modify the settings in there, and type "make".
This will build the code and all tests, and run all tests.
To get a feeling for the code, have a look at the files in test/acceptance, these
are explicitly meant as templates for real calculations (as well as complex tests
to check that the code is correct)

You can build the documentation using "make build-doc". This requires doxygen, and
constructs a documentation in the directory ./built-doc.  There is currently no
tutorial or such, only the documentation of the single classes grouped into
various modules (operators, propagators etc.).