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precision.h
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Sat, Oct 12, 15:13
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Mon, Oct 14, 15:13 (1 d, 21 h)
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rLAMMPS lammps
precision.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Mike Brown (ORNL), brownw@ornl.gov
------------------------------------------------------------------------- */
#ifndef PAIR_PRECISION_H
#define PAIR_PRECISION_H
struct
_lgpu_float2
{
float
x
;
float
y
;
};
struct
_lgpu_float4
{
float
x
;
float
y
;
float
z
;
float
w
;
};
struct
_lgpu_double2
{
double
x
;
double
y
;
};
struct
_lgpu_double4
{
double
x
;
double
y
;
double
z
;
double
w
;
};
#include <iostream>
inline
std
::
ostream
&
operator
<<
(
std
::
ostream
&
out
,
const
_lgpu_float2
&
v
)
{
out
<<
v
.
x
<<
" "
<<
v
.
y
;
return
out
;
}
inline
std
::
ostream
&
operator
<<
(
std
::
ostream
&
out
,
const
_lgpu_float4
&
v
)
{
out
<<
v
.
x
<<
" "
<<
v
.
y
<<
" "
<<
v
.
z
;
return
out
;
}
inline
std
::
ostream
&
operator
<<
(
std
::
ostream
&
out
,
const
_lgpu_double2
&
v
)
{
out
<<
v
.
x
<<
" "
<<
v
.
y
;
return
out
;
}
inline
std
::
ostream
&
operator
<<
(
std
::
ostream
&
out
,
const
_lgpu_double4
&
v
)
{
out
<<
v
.
x
<<
" "
<<
v
.
y
<<
" "
<<
v
.
z
;
return
out
;
}
// PRECISION - Precision for rsq, energy, force, and torque calculation
// ACC_PRECISION - Precision for accumulation of energies, forces, and torques
#ifdef _SINGLE_DOUBLE
#define OCL_PRECISION_COMPILE "-D_SINGLE_DOUBLE"
#define PRECISION float
#define ACC_PRECISION double
#define numtyp2 _lgpu_float2
#define numtyp4 _lgpu_float4
#define acctyp4 _lgpu_double4
#endif
#ifdef _DOUBLE_DOUBLE
#define OCL_PRECISION_COMPILE "-D_DOUBLE_DOUBLE"
#define PRECISION double
#define ACC_PRECISION double
#define numtyp2 _lgpu_double2
#define numtyp4 _lgpu_double4
#define acctyp4 _lgpu_double4
#endif
#ifndef PRECISION
#define OCL_PRECISION_COMPILE "-D_SINGLE_SINGLE"
#define PRECISION float
#define ACC_PRECISION float
#define numtyp2 _lgpu_float2
#define numtyp4 _lgpu_float4
#define acctyp4 _lgpu_float4
#endif
enum
{
SPHERE_SPHERE
,
SPHERE_ELLIPSE
,
ELLIPSE_SPHERE
,
ELLIPSE_ELLIPSE
};
#endif
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