Scine::Sparrow  4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Functions
Parameters.h File Reference
#include "Sparrow/Implementations/Dftb/ParameterSet.h"
Include dependency graph for Parameters.h:
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Functions

ParameterSet Scine::Sparrow::dftb::params_3ob_3_1 (const std::vector< int > &elements={})
 Dftb 3ob-3-1 parameter set generator. More...
 
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 ()
 
SkfSpinConstants Scine::Sparrow::dftb::params_3ob_3_1_spin ()
 
SkfHubbardDerivatives Scine::Sparrow::dftb::params_3ob_3_1_hubbard ()
 

Detailed Description

Copyright
This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory of Physical Chemistry, 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.