Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Parameters.h
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#ifndef INCLUDE_SPARROW_IMPLEMENTATIONS_DFTB_PARAMS_BORG_0_1_PARAMETER_SET_H
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#define INCLUDE_SPARROW_IMPLEMENTATIONS_DFTB_PARAMS_BORG_0_1_PARAMETER_SET_H
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#include "
Sparrow/Implementations/Dftb/ParameterSet.h
"
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namespace
Scine {
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namespace
Sparrow {
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namespace
dftb {
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ParameterSet params_borg_0_1(
const
std::vector<int>& elements = {});
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// NOTE: Atom-pair data generator fns
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SkfData params_borg_0_1_h_b();
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SkfData params_borg_0_1_b_b();
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SkfData params_borg_0_1_b_h();
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}
// namespace dftb
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}
// namespace Sparrow
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}
// namespace Scine
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#endif
ParameterSet.h
src
Sparrow
Sparrow
Resources
Dftb
borg-0-1
Parameters.h
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