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//
// Created by Eduard Valeyev on 7/3/18.
//
#ifndef LIBINT_FIXTURE_H
#define LIBINT_FIXTURE_H
#include <libint2.hpp>
using libint2::Atom;
using libint2::BasisSet;
using libint2::Shell;
using libint2::Engine;
using libint2::Operator;
using libint2::BraKet;
using libint2::CartesianShellNormalization;
namespace libint2 {
namespace unit {
class DefaultFixture {
public:
DefaultFixture() : atoms{ {8, 0.,0.,0.}, {8, 0.,0.,2.}, {1, 0.,-1.,-1.}, {1, 0.,1.,3.}},
obs("6-31g*", atoms),
dfbs("aug-cc-pvdz", atoms) {}
protected:
std::vector<Atom> atoms;
BasisSet obs, dfbs;
};
}
}
#endif //LIBINT_FIXTURE_H
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