embed.cpp File Reference

#include "Basisfile.h"
#include "DftbParameterSet.h"
#include "NddoParameters.h"
#include <iostream>

Include dependency graph for embed.cpp:

Functions
int	main (int argc, char *argv[])

Variables
const std::string	usage

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.

Variable Documentation

const std::string usage

Initial value:

= R"delim(
This binary is a serializer/meta-compiler of sorts.
It generates C++ .h and .cpp files that contain functions generating
instances for three runtime types:

- Sparrow::dftb::ParameterSet (a directory of SKF files and optionally a
  spin.dat and a hubbard.dat)
  - See dftbParameterSet
  - Generates a header and impl that construct only the parameters that
    are needed from a passed list of atomic numbers in a passed directory
- Sparrow::nddo::Parameters (runtime type directly mappable to custom JSON
  archive structure)
  - See nddoParameters
  - Generates a single parameters.cpp file in the same location as passed archive
- int -> Utils::GtoExpansion map (basically the result of parsing a
  turbomole minimal basisfile)
  - See basisfile
  - Generates a single cpp in the same location as passed file

Usage: Pass as arguments:

- directory: DFTB SKF parameters
- *.basis: Turbomole basisfile
- *.json: In-house NDDO parameter archive format
)delim"