gmx::detail Namespace Reference

Description

Client software developers do not interact directly with the contents of gmx::detail, but some declarations and definitions are necessary in the public headers, such as forward declarations of implementation classes and definitions of custom deleters.

Classes
struct	PaddingTraits
	Traits classes for handling padding for types used with PaddedVector. More...
struct	SimulationInputHandleImplDeleter
	Explicit deleter details for SimulationInputHolderImpl. More...
struct	extents_analyse< R, E0, StaticExtents...>
	Enable querying extent of specific rank by splitting a static extents off the variadic template arguments. More...
struct	extents_analyse< R, dynamic_extent, StaticExtents...>
	Enable querying extent of specific rank by splitting a dynamic extent off the variadic template arguments. More...
struct	extents_analyse< 0 >
	Specialisation for rank 0 extents analysis. Ends recursive rank analysis. More...

Typedefs
template<class... >
using	void_t = void
	Same as std::void_t from C++17.

Functions
template<typename T >
index	computePaddedSize (index numElements)
	Returns the allocation size for PaddedVector that contains numElements elements plus padding for SIMD operations. More...
template<typename T , typename AllocatorType >
void	insertPaddingElements (std::vector< T, AllocatorType > *v, index newPaddedSize)
	Helper function to insert padding elements for most T.
template<typename T , typename AllocatorType >
void	insertPaddingElements (std::vector< BasicVector< T >, AllocatorType > *v, index newPaddedSize)
	Specialization of helper function to insert padding elements, used for BasicVector<T>.

Variables
constexpr double	c_largeNegativeExponent = -10000.0
	A value that can be passed to exp() with result 0, also with SIMD.
constexpr double	c_largePositiveExponent = 700.0
	The largest acceptable positive exponent for variables that are passed to exp().
template<typename T >
constexpr bool	is_resizable_v = is_resizable<T>::value
	Type has a resize member function callable with size_t argument.
constexpr int	c_nBoxZ = 2 * gmx::c_dBoxZ + 1
constexpr int	c_nBoxY = 2 * gmx::c_dBoxY + 1
constexpr int	c_nBoxX = 2 * gmx::c_dBoxX + 1
constexpr int	c_numIvecs = detail::c_nBoxZ * detail::c_nBoxY * detail::c_nBoxX
constexpr int	c_TabulatedNormalDistributionDefaultBits = 14
	Number of bits that determines the resolution of the lookup table for the normal distribution.

Function Documentation

template<typename T >

index gmx::detail::computePaddedSize

(

index

numElements

)

Returns the allocation size for PaddedVector that contains numElements elements plus padding for SIMD operations.

Parameters

[in]

numElements

The number of T elements for which data will be stored.

Returns

The number of T elements that must be allocated (ie >= numElements).