KIFF DFTB(Density Functional based Tight Binding) Database is part of KIFF(KIST integrated force field platform).
This DB is results from the project "Development of Fundamental Technologies for Computational Nano Science Platform" funded by Ministry of Science, ICT and Future Planning of Korea.
KIFF Database supports the rest api. You can get the list of informations of DFTB force fields in KIFF through the following URL.
'element', 'author', and 'hash' can be used as search conditions.
For example, you can use the URL below to get information on the force field that supports a list of elements containing bromine and carbon created by 'Elstner'.
The contents of information of each force field in 'data' array are:
|id||The id of force field in KIFF||Number|
|description||Force field description||Text|
|elements||List of elements supported by the the force field||JSON array|
|published||Date on which the paper containing the force field was published in the journal||Text
|author||The author(s) of research paper including the force field||Text|
|doi||The DOI(Digital Object Identifier) of research paper including the force field||Text|
|hash||The hash created by md5 algorithm for error checking of the parameters of the force field||Text|
You can get each force field by id using the URL below.
The information obtained through the URL includes the following additional content:
|parameters||An array of the files of the force field||JSON array|
If you want to load files for particular elements, you can call only some files by specifying the elements.
For example, you can only load files for Br and C in the force field with ID 101 using the following URL: