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#ifndef _chemistry_qc_intv3_obintv3_h
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#define _chemistry_qc_intv3_obintv3_h
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#include <chemistry/qc/basis/obint.h>
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#include <chemistry/qc/intv3/int1e.h>
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namespace sc {
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00041 class OneBodyIntV3 :
public OneBodyInt {
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protected:
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Ref<Int1eV3> int1ev3_;
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typedef void (Int1eV3::*IntegralFunction)(
int,
int);
00045 IntegralFunction intfunc_;
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public:
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OneBodyIntV3(
Integral*,
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const Ref<GaussianBasisSet>&,
const Ref<GaussianBasisSet>&,
00049 IntegralFunction);
00050 ~
OneBodyIntV3();
00051
void compute_shell(
int,
int);
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bool cloneable();
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Ref<OneBodyInt> clone();
00054 };
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class PointChargeIntV3 :
public OneBodyInt
00057 {
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protected:
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Ref<Int1eV3> int1ev3_;
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Ref<PointChargeData> data_;
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public:
00062 PointChargeIntV3(
Integral*,
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const Ref<GaussianBasisSet>&,
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const Ref<GaussianBasisSet>&,
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const Ref<PointChargeData>&);
00066 ~PointChargeIntV3();
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void compute_shell(
int,
int);
00068 };
00069
00070
class EfieldDotVectorIntV3:
public OneBodyInt
00071 {
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protected:
00073 Ref<Int1eV3> int1ev3_;
00074 Ref<EfieldDotVectorData> data_;
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public:
00076 EfieldDotVectorIntV3(Integral*,
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const Ref<GaussianBasisSet>&,
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const Ref<GaussianBasisSet>&,
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const Ref<EfieldDotVectorData>&);
00080 ~EfieldDotVectorIntV3();
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void compute_shell(
int,
int);
00082 };
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class DipoleIntV3:
public OneBodyInt
00085 {
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protected:
00087 Ref<Int1eV3> int1ev3_;
00088 Ref<DipoleData> data_;
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public:
00090 DipoleIntV3(Integral*,
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const Ref<GaussianBasisSet>&,
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const Ref<GaussianBasisSet>&,
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const Ref<DipoleData>&);
00094 ~DipoleIntV3();
00095
void compute_shell(
int,
int);
00096 };
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00098
00099
00103 class OneBodyDerivIntV3 :
public OneBodyDerivInt {
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protected:
00105
Ref<Int1eV3> int1ev3_;
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typedef void (Int1eV3::*IntegralFunction)(
int,
int,
int,
int);
00107 IntegralFunction intfunc_;
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public:
00109
OneBodyDerivIntV3(
Integral*,
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const Ref<GaussianBasisSet>&,
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const Ref<GaussianBasisSet>&,
00112 IntegralFunction);
00113 ~
OneBodyDerivIntV3();
00114
void compute_shell(
int,
int,
DerivCenters&);
00115
void compute_shell(
int,
int,
int);
00116 };
00117
00118 }
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#endif
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