[DFTB-Plus-User] How to use as a library

Michael Lamparski diagonaldevice at gmail.com
Fri Apr 26 22:04:25 CEST 2019


Hello all.

I would like to use DFTB+ to compute forces for another code.  But I am a
bit confused about how DFTB+ can be used as a library:

On the one hand:

* The DFTB+ website front page claims you can "embed it into your own
academic or commercial simulation package as a library."
* DFTB+ is licensed under the Lesser GPL, something that only makes sense
for libraries.

On the other hand, searching the entire source tree for the word "api",
"lib", "public", "build", "install", "include", "high" (as in "high-level")
or any other reasonable term I can think of brings up no documentation for
how to use it as a library.

I see that the source code is structured into directories whose names begin
with `lib_`, but I don't see a way to produce something tangible from them
that I can link against from another language. (e.g. an `.so` file)  Any
clues?

---
Michael
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