File	Date	Author	Commit
applicationtest	2014-02-11	Ulf	[62f2c3] Merged the fidelity tool into the tracedistance...
deploy	2013-09-05	Ulf	[23f00b] various restructuring to speed up the builds
include	2014-02-06	Ulf	[2835ce] fixed and documented the entanglement tool.
src	2018-10-12	Ulf Lorenz	[a93127] - fixed some compilation errors (missing includ...
test	2018-10-12	Ulf Lorenz	[a93127] - fixed some compilation errors (missing includ...
tools	2015-11-25	Ulf	[f23939] added tool to normalize a MCTDH wave function
INSTALLATION	2014-02-10	Ulf	[e34f22] started including the TCLAP argument parsing li...
LICENSE	2014-01-09	Ulf	[cda297] Updated the copyright;
Makefile	2014-02-11	Ulf	[47d354] Fixed execution of additional Fortran helper files
Makefile.files	2015-11-25	Ulf	[f23939] added tool to normalize a MCTDH wave function
Makefile.rules.template	2015-11-25	Ulf	[f23939] added tool to normalize a MCTDH wave function
NEWS	2014-02-11	Ulf	[a8fe4a] added a NEWS file that lists the changes
README	2014-02-11	Ulf	[9ebce0] finishing touches to the README

Read Me

== Overview ==

The Heidelberg MCTDH code seems to be the de-facto standard for MCTDH
calculations. However, for all the nice things, it has a few serious drawbacks,
which make writing analysis software quite cumbersome.

To improve on this, this package provides a couple of classes to simply read in
and access the MCTDH output, allowing you to write short, testable programs
with all the conveniences that C++ as a modern programming language offers.

For more information, see the homepage http://sourceforge.net/p/mctdhtools,
especially the wiki.


== License ==

For details on the license of the program, see the LICENSE file


== Installation ==

For details on how to compile everything, see the INSTALLATION file


== Brief overview of the build process ==

The build process is steered by three Makefiles:

Makefile
	Contains all the targets and such. Unless you completely want to change the
	way how the program is built, you never need to touch this file (I have not
	touched it for ages).

Makefile.rules
	This file should be copied from Makefile.rules.template and adapted to the
	system, and sets the various configurable options (where the required
	libraries are etc.).

Makefile.files
	This files contains all the detailed file and directory information for the
	compilation process. It should be pretty self-explaining. If you want to
	add your own source code or tool to the program, you can simply add a line
	to the corresponding variable in this file.


== Brief overview of the code ==

The package contains several major subdirectories:

deploy/
	This directory is created at the end of the build process, and contains the
	library, all header files, and the built tools.

include/
	This directory contains all header files.

src/
	This directory contains all source code files.

test/
	This directory contains all the source code for unit and integration tests.

tools/
	This directory contains the source code for all the individual tools.


To get started with the code, I would strongly suggest you have a look at one
of the tools and work your way up from there.

Inside the include/, src/ and test/ subdirectories, there is an identical
hierarchy that determines what the header files / source code / tests are
about.

calc
	Contains helper functions for manipulating a multilayer wave function.
exception
	Contains definitions of the thrown exceptions
filedef
	Contains the complex readers/writers that are used to access or assemble
	MCTDH output files.
grid
	Some class stubs related to primitive grids.
io
	Classes that deal with reading/writing low-level Fortran output files.
stdblock
	Structures and functions to read in the standard MCTDH headers in the
	output files.
tree
	Classes and functions to represent, construct, and work with Multilayer
	data.
util
	Contains general helper functions that are not MCTDH-specific