Scine::Sparrow
5.1.0
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_znorg_0_1 (const std::vector< int > &elements={}) |
Dftb znorg-0-1 parameter set generator. More... | |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_c_h () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_o_o () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_zn_h () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_n_o () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_zn_c () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_c_s () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_s_o () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_o_s () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_o_zn () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_n_s () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_n_c () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_n_h () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_s_h () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_zn_o () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_s_n () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_zn_zn () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_o_h () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_c_n () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_n_n () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_n_zn () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_c_zn () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_h_n () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_c_c () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_s_c () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_h_zn () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_h_h () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_h_s () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_c_o () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_s_s () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_s_zn () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_o_n () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_h_o () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_zn_s () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_o_c () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_zn_n () |
SkfData | Scine::Sparrow::dftb::params_znorg_0_1_h_c () |