Section 3: library functions
sc::IntCoor – The IntCoor abstract class describes an internal coordinate of a molecule. Synopsis #include <coor.h> Inherits sc::SavableState. Inherited by sc::SimpleCo, and sc::SumIntCoor. Public Member Functions IntCoor (StateIn &) IntCoor (const IntCoor &) IntCoor (const char *label=0) This constructor takes a string containing a label for the internal coordinate. IntCoor (const Ref< KeyVal > &)…
sc::Int2eV3 – Int2eV3 is a class wrapper for the two body part of the C language IntV3 library. Synopsis #include <int2e.h> Inherits sc::RefCount. Classes struct store_list Public Types enum { STORAGE_CHUNK = 4096 } Public Member Functions Int2eV3 (Integral *, const Ref< GaussianBasisSet > &bs1, const Ref< GaussianBasisSet > &bs2, const Ref< GaussianBasisSet > &bs3,…
sc::Int2eCints – Int2eCints is an interface to various specializations of two-electron integral evaluators implemented in Cints. Synopsis #include <int2e.h> Inherits sc::RefCount. Inherited by sc::EriCints, and sc::GRTCints. Public Member Functions Int2eCints (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, size_t storage) void…
sc::Int2eCCA – Int2eCCA adapts CCA integrals components for use within SC. Synopsis #include <int2e.h> Inherits sc::RefCount. Public Member Functions Int2eCCA (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, int order, size_t storage, IntegralEvaluatorFactory, bool, string) double * buffer () void compute_erep…
qio – Quick I/O routines for reading files Synopsis #include <inn/qio.h> QIOSTATE *QIOopen(const char *name); QIOSTATE *QIOfdopen(int> I<fd); void QIOclose(QIOSTATE *qp); char *QIOread(QIOSTATE *qp); int QIOfileno(QIOSTATE *qp); size_t QIOlength(QIOSTATE *qp); int QIOrewind(QIOSTATE *qp); off_t QIOtell(QIOSTATE *qp); bool QIOerror(QIOSTATE *qp); bool QIOtoolong(QIOSTATE *qp); Description The routines described in this manual page are part of libinn(3). They…
std::binomial_distribution<IntType>::max – std::binomial_distribution<IntType>::max Synopsis result_type max() const; (since C++11) Returns the maximum value potentially generated by the distribution. Parameters (none) Return value The maximum value potentially generated by the distribution. Complexity Constant. See also returns the minimum potentially generated value min (public member function)
std::binomial_distribution<IntType>::binomial_distribution – std::binomial_distribution<IntType>::binomial_distribution Synopsis binomial_distribution() : binomial_distribution(1){}(1)(since C++ 11) explicit binomial_distribution(IntType t, double p = 0.5); (2)(since C++ 11) explicit binomial_distribution(const param_type ¶ms); (3)(since C++ 11) Constructs a new distribution object. (2) uses t and p as the distribution parameters. (3) uses params as the distribution parameters. Parameters t – the t distribution parameter (number…
std::binomial_distribution – std::binomial_distribution Synopsis Defined in header<random> template <class IntType = int> (since C++ 11) class binomial_distribution; Produces random non-negative integer values i, distributed according to discrete probability function: \(P(i|t,p) = \binom{t}{i} \cdot p^i \cdot (1-p)^{t-i}\)P(i|t,p) =⎛ ⎜ ⎝t i⎞ ⎟ ⎠ · pi · (1 − p)t−i The value obtained is the number of…
std::binder2nd< _Operation > – Synopsis Inherits std::unary_function< _Operation::first_argument_type, _Operation::result_type >. Public Types typedef _Operation::first_argument_type argument_type" typedef _Operation::result_type result_type Public Member Functions binder2nd (const _Operation &__x, const typename _Operation::second_argument_type &__y) _Operation::result_type operator() (const typename _Operation::first_argument_type &__x) const _Operation::result_type operator() (typename _Operation::first_argument_type &__x) const Protected Attributes _Operation op _Operation::second_argument_type value Detailed Description template<typename _Operation>class std::binder2nd< _Operation >…
std::binder1st< _Operation > – Synopsis Inherits std::unary_function< _Operation::second_argument_type, _Operation::result_type >. Public Types typedef _Operation::second_argument_type argument_type" typedef _Operation::result_type result_type Public Member Functions binder1st (const _Operation &__x, const typename _Operation::first_argument_type &__y) _Operation::result_type operator() (const typename _Operation::second_argument_type &__x) const _Operation::result_type operator() (typename _Operation::second_argument_type &__x) const Protected Attributes _Operation op _Operation::first_argument_type value Detailed Description template<typename _Operation>class std::binder1st< _Operation >…
std::binder1st,std::binder2nd – std::binder1st,std::binder2nd Synopsis template< class Fn > class binder1st : public std::unary_function<typename Fn::second_argument_type, typename Fn::result_type> { protected: Fn op; typename Fn::first_argument_type value; public: (deprecated in C++ 11)(1)(removed in C++ 17) binder1st(const Fn &fn, const typename Fn::first_argument_type &value); typename Fn::result_type operator()(const typename Fn::second_argument_type &x) const; typename Fn::result_type operator()(typename Fn::second_argument_type& x) const; }; template< class Fn…
std::bind_front – std::bind_front Synopsis Defined in header <functional> template <class F, class… Args> (since C++20) /*unspecified*/ bind_front( F&& f, Args&&… args ); The function template bind_front generates a forwarding call wrapper for f. Calling this wrapper is equivalent to invoking f with its first sizeof…(Args) parameters bound to args. In other words, std::bind_front(f, bound_args…)(call_args…) is…
std::bind1st,std::bind2nd – std::bind1st,std::bind2nd Synopsis Defined in header <functional> template< class F, class T > (1) (deprecated in C++11) std::binder1st<F> bind1st( const F& f, const T& x ); (removed in C++17) template< class F, class T > (2) (deprecated in C++11) std::binder2nd<F> bind2nd( const F& f, const T& x ); (removed in C++17) Binds a given…
std::bind – std::bind Synopsis Defined in header <functional> template< class F, class… Args > (1) (since C++11) /*unspecified*/ bind( F&& f, Args&&… args ); template< class R, class F, class… Args > (2) (since C++11) /*unspecified*/ bind( F&& f, Args&&… args ); The function template bind generates a forwarding call wrapper for f. Calling this…
std::binary_search – std::binary_search Synopsis Defined in header<algorithm> template <class ForwardIt, class T> (until C++ 20) bool binary_search(ForwardIt first, ForwardIt last, const T &value); template <class ForwardIt, class T> (since C++ 20) constexpr bool binary_search(ForwardIt first, ForwardIt last, const T &value); (1) template <class ForwardIt, class T, class Compare> (until C++ 20) bool binary_search(ForwardIt first, ForwardIt…
std::binary_negate – std::binary_negate Synopsis Defined in header <functional> template< class Predicate > struct binary_negate : public std::binary_function< Predicate::first_argument_type, (until C++11) Predicate::second_argument_type, bool >; template< class Predicate > (since C++11) struct binary_negate; (deprecated in C++17) (removed in C++20) binary_negate is a wrapper function object returning the complement of the binary predicate it holds. The binary predicate…
std::binary_function – std::binary_function Synopsis Defined in header<functional> template < class Arg1, (deprecated in C++ 11) class Arg2, (removed in C++ 17) class Result > struct binary_function; binary_function is a base class for creating function objects with two arguments. binary_function does not define operator(); it is expected that derived classes will define this. binary_function provides only…
std::bidirectional_iterator_tag – Synopsis Inherits std::forward_iterator_tag. Inherited by std::random_access_iterator_tag. Detailed Description Bidirectional iterators support a superset of forward iterator operations. Definition at line 99 of file stl_iterator_base_types.h. Author Generated automatically by Doxygen for libstdc++ from the source code.
std::beta,std::betaf,std::betal – std::beta,std::betaf,std::betal Synopsis double beta( double x, double y ); float betaf( float x, float y ); (1) (since C++17) long double betal( long double x, long double y ); Promoted beta( Arithmetic x, Arithmetic y ); (2) (since C++17) 1) Computes the beta_function of x and y. 2) A set of overloads or…
std::bernoulli_distribution::param_type – Synopsis Public Types typedef bernoulli_distribution distribution_type Public Member Functions param_type (double __p=0.5) double p () const Friends bool operator== (const param_type &__p1, const param_type &__p2) Detailed Description Parameter type. Definition at line 3578 of file random.h. Author Generated automatically by Doxygen for libstdc++ from the source code.