Parameters.h File Reference

#include "Sparrow/Implementations/Dftb/ParameterSet.h"

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Functions
ParameterSet	Scine::Sparrow::dftb::params_trans3d_0_1 (const std::vector< int > &elements={})
	Dftb trans3d-0-1 parameter set generator. More...
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ti_n ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ti_h ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_sc_o ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_sc_h ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_fe_o ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_fe_h ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ti_c ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_co_o ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_fe_n ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_sc_c ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_o_co ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_co_n ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_co_h ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ni_h ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_c_fe ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_c_co ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_n_ni ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_c_ni ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_co_c ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_fe_c ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_c_sc ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_c_ti ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ti_o ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_co_co ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_h_ni ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_h_ti ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_h_sc ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_o_sc ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_n_co ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_sc_sc ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_h_co ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_fe_fe ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_o_ti ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_n_fe ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ti_ti ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ni_ni ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ni_c ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_n_ti ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_sc_n ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ni_n ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_n_sc ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_ni_o ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_o_fe ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_h_fe ()
SkfData	Scine::Sparrow::dftb::params_trans3d_0_1_o_ni ()
SkfSpinConstants	Scine::Sparrow::dftb::params_trans3d_0_1_spin ()

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.