Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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ParameterSets.h
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1 
7 #ifndef INCLUDE_SPARROW_RESOURCES_DFTB_PARAMETER_SETS_H
8 #define INCLUDE_SPARROW_RESOURCES_DFTB_PARAMETER_SETS_H
9 
10 #include "Sparrow/Implementations/Dftb/ParameterSet.h"
11 
12 namespace Scine {
13 namespace Sparrow {
14 namespace dftb {
15 
16 boost::optional<ParameterSet> embeddedParameters(const std::string& name, const std::vector<int>& elements);
17 
18 } // namespace dftb
19 } // namespace Sparrow
20 } // namespace Scine
21 
22 #endif