OpenACC Syntax

Classes
struct	tinker::int2
struct	tinker::int3
struct	tinker::int4
struct	tinker::float2
struct	tinker::float3
struct	tinker::float4
struct	tinker::double2
struct	tinker::double3
struct	tinker::double4

Macros
#define	SEQ_ROUTINE   _Pragma("acc routine seq")
#define	SEQ_CUDA

Functions
template<class T >
void	tinker::atomic_add (T value, T *buffer, size_t offset=0)
template<class T , class = typename std::enable_if<std::is_same<T, float>::value || std::is_same<T, double>::value>::type>
void	tinker::atomic_add (T value, fixed *buffer, size_t offset=0)
template<class T >
void	tinker::atomic_add (T vxx, T vyx, T vzx, T vyy, T vzy, T vzz, T(*buffer)[8], size_t offset=0)
	Adds virial {xx,yx,zx,yy,zy,zz} to buffer[offset][0 to 7]. More...
template<class T , class = typename std::enable_if<std::is_same<T, float>::value || std::is_same<T, double>::value>::type>
void	tinker::atomic_add (T vxx, T vyx, T vzx, T vyy, T vzy, T vzz, fixed(*buffer)[8], size_t offset=0)
template<class G , class T >
G	tinker::floatTo (T val)
	Converts val of floating-point to type G. More...
template<class T >
T	tinker::fixedTo (fixed val)
	Converts val of fixed-point to floating-point. More...
template<class T >
T	tinker::toFloatGrad (fixed g)
	Converts a fixed-point value g to floating-point value. More...
template<class T >
T	tinker::toFloatGrad (double g)
	Converts a double-precision value g to floating-point value. More...
template<class T >
T	tinker::toFloatGrad (float g)
	Converts a single-precision value g to floating-point value. More...
template<class T , class U >
constexpr bool	tinker::eq ()
	Used as eq<T1,T2>() for two type identifiers. More...
int2	tinker::make_int2 (int x, int y)
int3	tinker::make_int3 (int x, int y, int z)
int4	tinker::make_int4 (int x, int y, int z, int w)
float2	tinker::make_float2 (float x, float y)
float3	tinker::make_float3 (float x, float y, float z)
float4	tinker::make_float4 (float x, float y, float z, float w)
double2	tinker::make_double2 (double x, double y)
double3	tinker::make_double3 (double x, double y, double z)
double4	tinker::make_double4 (double x, double y, double z, double w)

Detailed Description

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Class Documentation

tinker::int2

struct tinker::int2

Public Attributes
int	x
int	y

Member Data Documentation

x

int tinker::int2::x

y

int tinker::int2::y

tinker::int3

struct tinker::int3

Public Attributes
int	x
int	y
int	z

Member Data Documentation

x

int tinker::int3::x

y

int tinker::int3::y

z

int tinker::int3::z

tinker::int4

struct tinker::int4

Public Attributes
int	x
int	y
int	z
int	w

Member Data Documentation

w

int tinker::int4::w

x

int tinker::int4::x

y

int tinker::int4::y

z

int tinker::int4::z

tinker::float2

struct tinker::float2

Public Attributes
float	x
float	y

Member Data Documentation

x

float tinker::float2::x

y

float tinker::float2::y

tinker::float3

struct tinker::float3

Public Attributes
float	x
float	y
float	z

Member Data Documentation

x

float tinker::float3::x

y

float tinker::float3::y

z

float tinker::float3::z

tinker::float4

struct tinker::float4

Public Attributes
float	x
float	y
float	z
float	w

Member Data Documentation

w

float tinker::float4::w

x

float tinker::float4::x

y

float tinker::float4::y

z

float tinker::float4::z

tinker::double2

struct tinker::double2

Public Attributes
double	x
double	y

Member Data Documentation

x

double tinker::double2::x

y

double tinker::double2::y

tinker::double3

struct tinker::double3

Public Attributes
double	x
double	y
double	z

Member Data Documentation

x

double tinker::double3::x

y

double tinker::double3::y

z

double tinker::double3::z

tinker::double4

struct tinker::double4

Public Attributes
double	x
double	y
double	z
double	w

Member Data Documentation

w

double tinker::double4::w

x

double tinker::double4::x

y

double tinker::double4::y

z

double tinker::double4::z

Macro Definition Documentation

SEQ_CUDA

#define SEQ_CUDA

An empty macro in the OpenACC source code.

SEQ_ROUTINE

#define SEQ_ROUTINE   _Pragma("acc routine seq")

Expands to _Pragma("acc routine seq") in OpenACC source files. #pragma acc cannot be used in macro.

Function Documentation

atomic_add() [1/4]

template<class T , class = typename std::enable_if<std::is_same<T, float>::value || std::is_same<T, double>::value>::type>

void tinker::atomic_add ( T  value, fixed *  buffer, size_t  offset = 0  )

inline

Adds value to buffer[offset] via fixed-point arithmetic.

Template Parameters

T	A floating-point type.

atomic_add() [2/4]

template<class T >

void tinker::atomic_add ( T  value, T *  buffer, size_t  offset = 0  )

inline

Adds value to buffer[offset].

Note

value and buffer elements are of the same type.

atomic_add() [3/4]

template<class T , class = typename std::enable_if<std::is_same<T, float>::value || std::is_same<T, double>::value>::type>

void tinker::atomic_add ( T  vxx, T  vyx, T  vzx, T  vyy, T  vzy, T  vzz, fixed(*)  buffer[8], size_t  offset = 0  )

inline

Adds virial {xx,yx,zx,yy,zy,zz} to buffer[offset][0 to 7] via fixed-point arithmetic.

atomic_add() [4/4]

template<class T >

void tinker::atomic_add ( T  vxx, T  vyx, T  vzx, T  vyy, T  vzy, T  vzz, T(*)  buffer[8], size_t  offset = 0  )

inline

Adds virial {xx,yx,zx,yy,zy,zz} to buffer[offset][0 to 7].

eq()

template<class T , class U >

constexpr bool tinker::eq ( )

constexpr

Used as eq<T1,T2>() for two type identifiers.

fixedTo()

template<class T >

T tinker::fixedTo ( fixed  val )

inline

Converts val of fixed-point to floating-point.

floatTo()

template<class G , class T >

G tinker::floatTo ( T  val )

inline

Converts val of floating-point to type G.

make_double2()

double2 tinker::make_double2 ( double  x, double  y  )

inline

make_double3()

double3 tinker::make_double3 ( double  x, double  y, double  z  )

inline

make_double4()

double4 tinker::make_double4 ( double  x, double  y, double  z, double  w  )

inline

make_float2()

float2 tinker::make_float2 ( float  x, float  y  )

inline

make_float3()

float3 tinker::make_float3 ( float  x, float  y, float  z  )

inline

make_float4()

float4 tinker::make_float4 ( float  x, float  y, float  z, float  w  )

inline

make_int2()

int2 tinker::make_int2 ( int  x, int  y  )

inline

make_int3()

int3 tinker::make_int3 ( int  x, int  y, int  z  )

inline

make_int4()

int4 tinker::make_int4 ( int  x, int  y, int  z, int  w  )

inline

toFloatGrad() [1/3]

template<class T >

T tinker::toFloatGrad ( double  g )

inline

Converts a double-precision value g to floating-point value.

toFloatGrad() [2/3]

template<class T >

T tinker::toFloatGrad ( fixed  g )

inline

Converts a fixed-point value g to floating-point value.

toFloatGrad() [3/3]

template<class T >

T tinker::toFloatGrad ( float  g )

inline

Converts a single-precision value g to floating-point value.