Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include "Sparrow/Implementations/Dftb/ParameterSet.h"
Go to the source code of this file.
Functions | |
ParameterSet | Scine::Sparrow::dftb::params_hyb_0_2 (const std::vector< int > &elements={}) |
Dftb hyb-0-2 parameter set generator. More... | |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_s_si () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ag_c () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ag_o () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_o_ag () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ga_o () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ag_si () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ga_si () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_si_as () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ag_ag () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_as_si () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_h_ag () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_s_as () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ga_s () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_as_s () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_si_ag () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_c_ag () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_as_as () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_as_h () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_as_ga () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ga_h () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_o_ga () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ga_as () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_h_as () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_s_ga () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_h_ga () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_si_ga () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_c_ga () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ag_h () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_si_si () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_si_s () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ga_c () |
SkfData | Scine::Sparrow::dftb::params_hyb_0_2_ga_ga () |