21 #ifndef _libint2_src_bin_libint_cr11gtg111d_h_ 22 #define _libint2_src_bin_libint_cr11gtg111d_h_ 24 #include <generic_rr.h> 25 #include <util_types.h> 33 template <CartesianAxis Axis>
36 GenIntegralSet_11_11<CGShell1d<Axis>,GTG_1d,EmptySet> >
44 static const unsigned int max_nchildren = 1;
46 using ParentType::Instance;
52 using ParentType::RecurrenceRelation::expr_;
53 using ParentType::RecurrenceRelation::nflops_;
54 using ParentType::target_;
55 using ParentType::is_simple;
59 static std::string descr() {
return "CR"; }
61 #if LIBINT_ENABLE_GENERIC_CODE 62 bool has_generic(
const SafePtr<CompilationParameters>& cparams)
const {
return true; }
65 std::string generic_header()
const {
return "VRR_GTG_1d_xx_xx.h"; }
67 std::string generic_instance(
const SafePtr<CodeContext>& context,
const SafePtr<CodeSymbols>& args)
const;
71 template <CartesianAxis Axis>
72 CR_11_GTG_11_1d<Axis>::CR_11_GTG_11_1d(
const SafePtr<TargetType>& Tint,
80 BasisFunctionType _0(0);
82 if (target_->oper()->descr().contracted())
85 ChildFactory<ThisType,TargetType> factory(
this);
86 auto _00_GTG_00 = factory.make_child(_0,_0,_0,_0,0u,oper);
90 #if LIBINT_ENABLE_GENERIC_CODE 91 template <CartesianAxis Axis>
93 CR_11_GTG_11_1d<Axis>::generic_instance(
const SafePtr<CodeContext>& context,
const SafePtr<CodeSymbols>& args)
const {
95 std::ostringstream oss;
96 auto a = target_->bra(0,0);
97 auto b = target_->ket(0,0);
98 auto c = target_->bra(1,0);
99 auto d = target_->kt(1,0);
101 const bool vec = (context->cparams()->max_vector_length() != 1);
103 oss <<
"VRR_GTG_1d_xx_xx::compute<" 104 << to_string<Axis> <<
"," 109 << (vec ?
"true" :
"false") <<
">::compute(";
111 const unsigned int nargs = args->n();
112 for(
unsigned int a=0; a<nargs; a++) {
113 oss << args->symbol(a) <<
",";
116 oss <<
",inteval->_00_GTG1d_00_" <<
to_string(Axis) <<
");";
121 std::list<std::string> forced_symbol;
122 forced_symbol.push_back(std::string(
"AB_") +
to_string(Axis));
123 forced_symbol.push_back(std::string(
"CD_") +
to_string(Axis));
124 forced_symbol.push_back(std::string(
"R12kG12_pfac0_0_") +
to_string(Axis));
125 forced_symbol.push_back(std::string(
"R12kG12_pfac0_1_") +
to_string(Axis));
126 forced_symbol.push_back(std::string(
"R12kG12_pfac1_0"));
127 forced_symbol.push_back(std::string(
"R12kG12_pfac1_1"));
128 forced_symbol.push_back(std::string(
"R12kG12_pfac2"));
129 taskmgr.current().symbols()->add(forced_symbol);
Defaults definitions for various parameters assumed by Libint.
Definition: algebra.cc:24
a "shell" of 1D CGFs with quantum number L is a set of 1D CGFs with quantum numbers 0 .
Definition: bfset.h:627
Generic integral over a two-body operator with one bfs for each particle in bra and ket.
Definition: integral_11_11.h:33
RRImpl must inherit GenericRecurrenceRelation<RRImpl>
Definition: generic_rr.h:49
std::string to_string(const T &x)
Converts x to its string representation.
Definition: entity.h:74
Compute relation for 1-dimensional Gaussian-type geminal integrals.
Definition: comp_11_gtg_11_1d.h:34
static LibraryTaskManager & Instance()
LibraryTaskManager is a Singleton.
Definition: task.cc:34
static bool directional()
This relation is not directional.
Definition: comp_11_gtg_11_1d.h:49