DMRG++: Software Project

"A generic DMRG Implementation in C++"

Project Mission: DMRG++ is a free and open source implementation of the DMRG algorithm. It emphasizes generic programming using C++ templates, friendly user-interface, and as few software dependencies as possible. DMRG++ tries to make writing new models and geometries easy, fast and bug-free by using a generic DMRG engine.

(What's the DMRG?)

Mar. 29, 2011:: Paper on time evolution posted to cond-mat, see documentation below. Explanatory notes on how to reproduce the figures of this paper using DMRG++ will be posted on this page shortly.
Mar. 22, 2011:: The CNMS has an open call for proposals. Feel free to submit a proposal if you want new models and/or geometries, or other work related to DMRG++. Also, feel free to use the alternative form in LaTeX, if you prefer. Deadline is May 4, 2011.
Jan. 12, 2011: As of today's version, DMRG++ depends on the the GNU Scientific Library or GSL. This is found in http://www.gnu.org/software/gsl/. However, you might not need to download it, since many Linux distributions have it in their official repositories. (e.g. in SUSE the GSL is found under the names of gsl and gsl-devel, you need both). This is marked semi-optional, since you can work without the GSL, please see Removing GSL Dependencies, in section 2.3 of the manual for more info. The GSL is no longer required in the default configuration.
Dec. 15, 2010:: Manual updated: checkpoint section added, make sure you have at least today's version. Note also that you can generate a manual.pdf, by using the source under doc/manual.tex
Dec. 13, 2010: A page with issues has been posted. Contributions are appreciated. Thanks.
Dec. 8, 2010: DMRG++ now needs PsimagLite as a dependency. See section 2 of the manual for more info.
Dec. 8, 2010: A few comparisons of how well DMRG++ can compute observables. Note: CPU times listed there are outdated and input files are also outdated.
Nov 1, 2010:
- Posted talk I gave at Sandia National Laboratories under documentation below
- DMRG++ to use Literate Programming: Literate programming will be used from now on. Instead of documenting the code, we will add code to the documentation. This will enable the creation of a story instead of having scattered explanations here and there. There are already samples under doc in this website. The git repository already includes certain .w files under src/Engine.
News for August 26, 2010
- A new testsuite is available with the latest revision ( 276172be49d4193899ec ). Thanks to Ed. P. for contributing it! The testsuite's manual is under TestSuite/testsuite.8 (do man -l testsuite.8 or less testsuite.8 to see it)
- configure.pl no longer produces an input file. Please use a sample input file from inside the TestSuite (under TestSuite/inputs/). An input.pl script to write input files is in the works.
- Input file format has changed and so the manual is no longer up-to-date. Sorry to make this highly visible change, but it was unavoidable. Again please see TestSuite/inputs for examples of inputs. Also TestSuite/inputs/descriptions.txt for a description of each test. Input format will be moving to JSON format in the (unforseable for now :-)) future.
- One clarification about the manual: When updates are posted they will be announced in this section.
June 29, 2010: Manual updated. See "Static Observables" section to learn how to compute static observables.
June 29, 2010: You can follow DMRG++'s development (and its history) here
June 2, 2010: Posted the talk I gave at the March Meeting, under Documentation below
June 2, 2010: DMRG++ Bleeding Edge Repository has been posted (see below)
DMRG++ Bleeding Edge is Coming Up
- May 19, 2010: Preliminary Manual Posted here (It's incomplete, though)
- May 18, 2010: Posted new schedule for DMRG++ v2.2, and Full Manual. Please see below under Schedule.
- May 18, 2010: Also: I plan to release the full code (bleeding edge), and you'll be able to follow my coding through a git repo, with frequent commits. Please stay tuned!
- May 18, 2010: Yes, I know there's not enough documentation yet. The Full Manual will fix this problem. Depending on interest (feel free to drop me a line at gz1 at (@) ornl dot(.) gov if you want to express interest), I'll add lengthier explanations to the Full Manual. The release of the Bleeding Edge repository will also depend on interest.
Documentation Update, Manual Delayed
- March 10, 2010: I posted in cond-mat the paper on SU(2) symmetry implementation, see below, under Documentation.
- March 11, 2010: The DMRG++ v2.0 manual is not ready yet, sorry, schedule has changed accordingly.
DMRG++ v2.0 is out! See "source code" below

What's new in version 2.0?

This List will be superseded by the DMRG++ v2.0 Manual when released.

Engine: SU(2) symmetry support
Engine: full checkpointing support
Engine: DiskStack or MemoryStack option
Concurrency: Added pthreads support
User Interface: Customizable finite sweeps
New Model: FeBasedSc for Fe-based Superconductors
New Geometry: GeometryLadderFeAs to go with FeBasedSc
Tests: TestSuite added (under /TestSuite)
Documentation: Detailed Manual for users and developers added (under /doc) This is in progress

Source code <---contains v2.2 now!

Version 2.2 : [github.com] On the previous link click on "Download source".
Alternatively, if you have git installed then you can do
```
git clone https://github.com/g1257/dmrgpp.git
```
and you'll get the git repo.
SHA1 Hash of tag v2.2 7d1baeed77961879af49a76533153981729c6205
You can check this SHA1 hash from inside the dmrgpp directory with git rev-parse HEAD
Moreover, the v2.2 tag is signed. Ask for my public key if you want to verify it.
Version 1 stable source code published by Computer Physics Communications: [cpc.cs.qub.ac.uk] (will open in new page or tab)
Software LICENSE is in src/LICENSE and also here

*********************************************************
DISCLAIMER

THE SOFTWARE IS SUPPLIED BY THE COPYRIGHT HOLDERS AND
CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED
WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A
PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE
COPYRIGHT OWNER, CONTRIBUTORS, UNITED STATES GOVERNMENT,
OR THE UNITED STATES DEPARTMENT OF ENERGY BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE
OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH
DAMAGE.

NEITHER THE UNITED STATES GOVERNMENT, NOR THE UNITED
STATES DEPARTMENT OF ENERGY, NOR THE COPYRIGHT OWNER, NOR
ANY OF THEIR EMPLOYEES, REPRESENTS THAT THE USE OF ANY
INFORMATION, DATA, APPARATUS, PRODUCT, OR PROCESS
DISCLOSED WOULD NOT INFRINGE PRIVATELY OWNED RIGHTS.

*********************************************************

Paper and Documentation

Paper on Time Evolution with the DMRG Algorithm.
Literate programming under doc/
Talk I gave at Sandia National Laboratories on Oct. 2010
Talk on SU(2) algorithm: here. Note: The performance issues mentioned in this talk related to the WFT have been solved in v2.2
Link to paper on SU(2) symmetry: arXiv:1003.1919 (external link, will open in new page)
DMRG++ v2.0 Manual: Preliminary Incomplete Manual. ~~Full Manual Will be posted here soon (see Schedule)~~. ~~Manual will be continually updated instead~~ Literate programming will be used instead
Link to paper: arXiv:0902.3185 and Computer Physics Communications 180 (2009) 1572-1578 (external link, will open in new page)

Release Schedule

Date	Item
I've been doing heavy development of DMRG++ to add new features, and improve performance. At this stage it seems that it's possible to give a tentative schedule, as follows:
~~Dec. 11, 2009~~	~~New features announced and frozen~~, DONE see above
~~Jan. 11, 2010~~	~~DMRG++ version 2.0 (alpha) Released mainly for testing~~ DONE see above
Jan. 11, 2010	~~All posting and development frozen, except for bugs and documentation.~~
~~March 11, 2010~~	DMRG++ v2.0 Manual will be posted
April, 2010	~~Development resumes~~ Development has resumed
~~June 15, 2010~~	~~DMRG++ Full Manual and v2.2 release (will include static observables and how to calculate them)~~
	~~DMRG++ Bleeding Edge repository~~DONE

Feedback and Collaborations

Feedback about DMRG++ can be sent directly to me at gz1 at ornl. gov or leave an issue at [github.com].

If you are interested in using DMRG++ for a particular case study (tight-binding model for a specific material), you might consider submitting an application for a user proposal through the CNMS, during their call window. There are calls throughout the year, see cnms.ornl.gov for more information.

The same is true if you or your group at your University or National Laboratory has a strong interest in the technicalities of the DMRG algorithm (or related algorithms), and you like the approach taken by DMRG++.

Thanks for your interest in DMRG++!

Other

DMRG++ has 17,000+ lines of code

Disclaimers