20 #ifndef _libint2_src_bin_libint_masterintslist_h_ 21 #define _libint2_src_bin_libint_masterintslist_h_ 24 #define BOOST_MPL_CFG_NO_PREPROCESSED_HEADERS 25 #define BOOST_MPL_LIMIT_LIST_SIZE 50 26 #include <boost/mpl/list.hpp> 30 #if LIBINT_SUPPORT_ONEBODYINTS 31 # include <integral_1_1.h> 33 #include <integral_11_11.h> 40 #if LIBINT_SUPPORT_ONEBODYINTS 41 typedef GenIntegralSet_1_1<CGShell,OverlapOper,EmptySet> Overlap_1_1_sh;
42 typedef GenIntegralSet_1_1<CGF,OverlapOper,EmptySet> Overlap_1_1_int;
43 typedef GenIntegralSet_1_1<CGShell,KineticOper,EmptySet> Kinetic_1_1_sh;
44 typedef GenIntegralSet_1_1<CGF,KineticOper,EmptySet> Kinetic_1_1_int;
45 typedef GenIntegralSet_1_1<CGShell,ElecPotOper,mType> ElecPot_1_1_sh;
46 typedef GenIntegralSet_1_1<CGF,ElecPotOper,mType> ElecPot_1_1_int;
47 typedef GenIntegralSet_1_1<CGShell,CartesianMultipoleOper<3u>,
EmptySet> CMultipole_1_1_sh;
48 typedef GenIntegralSet_1_1<CGF,CartesianMultipoleOper<3u>,
EmptySet> CMultipole_1_1_int;
50 typedef GenIntegralSet_1_1<CGShell1d<CartesianAxis_X>,OverlapOper,
EmptySet> Overlap_1_1_sh_x;
51 typedef GenIntegralSet_1_1<CGShell1d<CartesianAxis_Y>,OverlapOper,
EmptySet> Overlap_1_1_sh_y;
52 typedef GenIntegralSet_1_1<CGShell1d<CartesianAxis_Z>,OverlapOper,
EmptySet> Overlap_1_1_sh_z;
53 typedef GenIntegralSet_1_1<CGF1d<CartesianAxis_X>,OverlapOper,
EmptySet> Overlap_1_1_int_x;
54 typedef GenIntegralSet_1_1<CGF1d<CartesianAxis_Y>,OverlapOper,
EmptySet> Overlap_1_1_int_y;
55 typedef GenIntegralSet_1_1<CGF1d<CartesianAxis_Z>,OverlapOper,
EmptySet> Overlap_1_1_int_z;
56 typedef GenIntegralSet_1_1<CGShell1d<CartesianAxis_X>,KineticOper,
EmptySet> Kinetic_1_1_sh_x;
57 typedef GenIntegralSet_1_1<CGShell1d<CartesianAxis_Y>,KineticOper,
EmptySet> Kinetic_1_1_sh_y;
58 typedef GenIntegralSet_1_1<CGShell1d<CartesianAxis_Z>,KineticOper,
EmptySet> Kinetic_1_1_sh_z;
59 typedef GenIntegralSet_1_1<CGF1d<CartesianAxis_X>,KineticOper,
EmptySet> Kinetic_1_1_int_x;
60 typedef GenIntegralSet_1_1<CGF1d<CartesianAxis_Y>,KineticOper,
EmptySet> Kinetic_1_1_int_y;
61 typedef GenIntegralSet_1_1<CGF1d<CartesianAxis_Z>,KineticOper,
EmptySet> Kinetic_1_1_int_z;
63 typedef GenIntegralSet_1_1<CGShell1d<CartesianAxis_X>,CartesianMultipoleOper<1u>,
EmptySet> CMultipole_1_1_sh_x;
64 typedef GenIntegralSet_1_1<CGShell1d<CartesianAxis_Y>,CartesianMultipoleOper<1u>,
EmptySet> CMultipole_1_1_sh_y;
65 typedef GenIntegralSet_1_1<CGShell1d<CartesianAxis_Z>,CartesianMultipoleOper<1u>,
EmptySet> CMultipole_1_1_sh_z;
66 typedef GenIntegralSet_1_1<CGF1d<CartesianAxis_X>,CartesianMultipoleOper<1u>,
EmptySet> CMultipole_1_1_int_x;
67 typedef GenIntegralSet_1_1<CGF1d<CartesianAxis_Y>,CartesianMultipoleOper<1u>,
EmptySet> CMultipole_1_1_int_y;
68 typedef GenIntegralSet_1_1<CGF1d<CartesianAxis_Z>,CartesianMultipoleOper<1u>,
EmptySet> CMultipole_1_1_int_z;
74 typedef GenIntegralSet_11_11<CGShell,TwoPRep,mType> TwoPRep_11_11_sq;
75 typedef GenIntegralSet_11_11<CGF,TwoPRep,mType> TwoPRep_11_11_int;
76 typedef GenIntegralSet_11_11<CGShell,R12kG12,mType> R12kG12_11_11_sq;
77 typedef GenIntegralSet_11_11<CGF,R12kG12,mType> R12kG12_11_11_int;
78 typedef GenIntegralSet_11_11<CGShell,R12kR12lG12,EmptySet> R12kR12lG12_11_11_sq;
79 typedef GenIntegralSet_11_11<CGF,R12kR12lG12,EmptySet> R12kR12lG12_11_11_int;
80 typedef GenIntegralSet_11_11<CGShell,TiG12,mType> TiG12_11_11_sq;
81 typedef GenIntegralSet_11_11<CGF,TiG12,mType> TiG12_11_11_int;
82 typedef GenIntegralSet_11_11<CGShell,G12TiG12,mType> G12TiG12_11_11_sq;
83 typedef GenIntegralSet_11_11<CGF,G12TiG12,mType> G12TiG12_11_11_int;
84 typedef GenIntegralSet_11_11<CGShell,DivG12prime_xTx,mType> DivG12prime_xTx_11_11_sq;
85 typedef GenIntegralSet_11_11<CGF,DivG12prime_xTx,mType> DivG12prime_xTx_11_11_int;
86 typedef GenIntegralSet< GenMultSymm2BodyOper,
89 DefaultTwoPBraket<CGShell>::Result,
91 DummySymmIntegral_11_11_sq;
92 typedef GenIntegralSet< GenMultSymm2BodyOper,
95 DefaultTwoPBraket<CGF>::Result,
97 DummySymmIntegral_11_11_int;
102 typedef boost::mpl::list<
103 #if LIBINT_SUPPORT_ONEBODYINTS 127 CMultipole_1_1_int_x,
128 CMultipole_1_1_int_y,
129 CMultipole_1_1_int_z,
135 R12kR12lG12_11_11_sq,
136 R12kR12lG12_11_11_int,
141 DivG12prime_xTx_11_11_sq,
142 DivG12prime_xTx_11_11_int,
143 DummySymmIntegral_11_11_sq,
144 DummySymmIntegral_11_11_int
149 #endif // header guard Defaults definitions for various parameters assumed by Libint.
Definition: algebra.cc:23
boost::mpl::list<#if LIBINT_SUPPORT_ONEBODYINTS Overlap_1_1_sh, Overlap_1_1_int, Overlap_1_1_sh_x, Overlap_1_1_int_x, Overlap_1_1_sh_y, Overlap_1_1_int_y, Overlap_1_1_sh_z, Overlap_1_1_int_z, Kinetic_1_1_sh, Kinetic_1_1_int, Kinetic_1_1_sh_x, Kinetic_1_1_int_x, Kinetic_1_1_sh_y, Kinetic_1_1_int_y, Kinetic_1_1_sh_z, Kinetic_1_1_int_z, ElecPot_1_1_sh, ElecPot_1_1_int, CMultipole_1_1_sh, CMultipole_1_1_int, CMultipole_1_1_sh_x, CMultipole_1_1_sh_y, CMultipole_1_1_sh_z, CMultipole_1_1_int_x, CMultipole_1_1_int_y, CMultipole_1_1_int_z,#endif TwoPRep_11_11_sq, TwoPRep_11_11_int, R12kG12_11_11_sq, R12kG12_11_11_int, R12kR12lG12_11_11_sq, R12kR12lG12_11_11_int, TiG12_11_11_sq, TiG12_11_11_int, G12TiG12_11_11_sq, G12TiG12_11_11_int, DivG12prime_xTx_11_11_sq, DivG12prime_xTx_11_11_int, DummySymmIntegral_11_11_sq, DummySymmIntegral_11_11_int > MasterIntegralTypeList
All known types go into this typelist Every type must have a corresponding instantiation of MasterStr...
Definition: master_ints_list.h:145
ArrayBraket< BFS, 2 > Result
This defines which Braket implementation to use.
Definition: braket.h:404
DefaultQuantumNumbers< int, 0 >::Result EmptySet
EmptySet is the type that describes null set of auxiliary indices.
Definition: quanta.h:405