Parameters.cpp File Reference

#include "Sparrow/Resources/Dftb/3ob-3-1/Parameters.h"
#include "Sparrow/Implementations/Dftb/ParameterSet.h"

Include dependency graph for Parameters.cpp:

Functions
ParameterSet	Scine::Sparrow::dftb::params_3ob_3_1 (const std::vector< int > &elements={})
	Dftb 3ob-3-1 parameter set generator. More...
SkfSpinConstants	Scine::Sparrow::dftb::params_3ob_3_1_spin ()
SkfHubbardDerivatives	Scine::Sparrow::dftb::params_3ob_3_1_hubbard ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_p_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_f ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_h ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_n ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_na_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_i ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_na ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_cl ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_c_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_h_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_o ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_i_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_f_mg ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_br_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_s_p ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_zn_k ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_cl_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_mg_br ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_n_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_o_ca ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_s ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_ca_zn ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_c ()
SkfData	Scine::Sparrow::dftb::params_3ob_3_1_k_na ()

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.

Note

This file was generated by the Embed binary from runtime values. Prefer improving the generator over editing this file whenever possible.

This file contains functions generating runtime values. It was generated from runtime values of its return type. It is not intended to be human-readable. A small guide: Return values are directly brace-initialized in deep nesting to keep file size to a minimum. Types are annotated only when necessary. Floating point values are represented in hexadecimal (see std::hexfloat) to ensure serialization does not cause loss of accuracy.

The functions defined here might be declared and called elsewhere entirely.