Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Sto6gParameters.h
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1 
7 #ifndef INCLUDE_SPARROW_STO_6G_PARAMETERS_H
8 #define INCLUDE_SPARROW_STO_6G_PARAMETERS_H
9 
11 #include <unordered_map>
12 
13 namespace Scine {
14 namespace Sparrow {
15 namespace Sto6g {
16 
18 std::unordered_map<int, Utils::AtomicGtos> rm1();
20 std::unordered_map<int, Utils::AtomicGtos> am1();
22 std::unordered_map<int, Utils::AtomicGtos> pm3();
24 std::unordered_map<int, Utils::AtomicGtos> pm6();
26 std::unordered_map<int, Utils::AtomicGtos> mndo();
28 std::unordered_map<int, Utils::AtomicGtos> dftb();
29 
30 } // namespace Sto6g
31 } // namespace Sparrow
32 } // namespace Scine
33 
34 #endif