The High-Throughput Toolkit (httk)¶
This website documents the High-Throughput Toolkit (httk). Looking for the Open Materials Database? It is at: http://openmaterialsdb.se
About the High-Throughput Toolkit¶
The High-Throughput Toolkit (httk) is a toolkit for preparing and running calculations, analyzing the results, and store them in a global and/or in a personalized database. httk is an independent implementation of the database-centric high-throughput methodology pioneered by Ceder et al., and others. [see, e.g., Comp. Mat. Sci. 50, 2295 (2011)]. httk is presently targeted at atomistic calculations in materials science and electronic structure, but aims to be extended into a library useful also outside those areas.
Getting started with httk¶
- The latest download information for httk is found at
For information on basic usage of the httk, see httk Users’ Guide.
More tricky details on how high-throughput computational tasks are executed via the runmanager.sh program are presented in httk Runmanager Details. This is useful if you plan to write your own intricate run-scripts using httk.
We track our bugs using the issue tracker at github. If you find a bug, please search to see if someone else has reported it here:
If you cannot find it already reported, please click the ‘new issue’ button and report the bug.
Citing httk in scientific works¶
This is presently the preferred citation to the httk framework itself:
The High-Throughput Toolkit (httk), R. Armiento et al., http://httk.openmaterialsdb.se/.
Since the httk can call upon many other pieces of software quite transparently, it may not be initially obvious what other software should be cited. Unless configured otherwise, httk prints out a list of citations when the program ends. You should take note of those citations and include them in your publications if relevant.
- httk has kindly been funded in part by:
- The Swedish Research Council (VR) Grant No. 621-2011-4249
- The Linnaeus Environment at Linköping on Nanoscale Functional Materials (LiLi-NFM) funded by the Swedish Research Council (VR).
License and redistribution¶
The High-Throughput Toolkit uses the GNU Affero General Public License, which is an open source license that allows redistribution and re-use if the license requirements are met. (Note that this license contains clauses that are not in the GNU Public License, and source code from httk thus cannot be imported into GPL licensed projects.)
The full license text is present in httk license.
Our primary point of contact is email to: httk [at] openmaterialsdb.se (where [at] is replaced by @)