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_borg_0_1 (const std::vector< int > &elements={}) |
Dftb borg-0-1 parameter set generator. More... | |
SkfData | Scine::Sparrow::dftb::params_borg_0_1_h_b () |
SkfData | Scine::Sparrow::dftb::params_borg_0_1_b_b () |
SkfData | Scine::Sparrow::dftb::params_borg_0_1_b_h () |