28 #ifndef _chemistry_qc_libint2_bounds_h
29 #define _chemistry_qc_libint2_bounds_h
31 #include <util/misc/scexception.h>
32 #include <chemistry/qc/basis/intparams.h>
33 #include <chemistry/qc/libint2/int2e.h>
41 static const int debugclass_ = 0;
43 typedef signed char int_bound_t;
44 enum { int_bound_min = SCHAR_MIN, int_bound_max = SCHAR_MAX };
49 virtual int log2_bound(
int sh1,
int sh2,
int sh3,
int sh4)
const =0;
50 static int_bound_t bound_cast(
double);
54 template <
class Int2e>
57 typedef Log2Bounds::int_bound_t int_bound_t;
68 int log2_bound(
int sh1,
int sh2,
int sh3,
int sh4)
const;
71 std::vector<int_bound_t> Q12_;
72 std::vector<int_bound_t> Q34_;
84 #endif // header guard
A template class that maintains references counts.
Definition: ref.h:361
virtual int log2_bound(int sh1, int sh2, int sh3, int sh4) const =0
computes bound for a given type of integrals
The Integral abstract class acts as a factory to provide objects that compute one and two electron in...
Definition: integral.h:111
The base class for all reference counted objects.
Definition: ref.h:192
Computes log2 bounds for a particular Int2e evaluator.
Definition: bounds.h:55
Computes log2 bounds.
Definition: bounds.h:38
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
int log2_bound(int sh1, int sh2, int sh3, int sh4) const
computes bound for a given type of integrals
Definition: bounds.timpl.h:191
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