Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/src/USER-MGPT/mgpt_ttr_5123.c.h
d815b390baf1lammm-master-deprecated

Last Change
Raw File

mgpt_ttr_5123.c.h
View Options

/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
This file is part of the MGPT implementation. See further comments
in pair_mgpt.cpp and pair_mgpt.h.
------------------------------------------------------------------------- */
//#define TESTING
#ifdef TESTING
typedef struct {
double x,y;
} pair;
#define CPLX pair
static double my_creal(CPLX x) {
return ((double *) &x)[0];
}
static double my_cimag(CPLX x) {
return ((double *) &x)[1];
}
static CPLX my_lfpd(const double *p) {
return ((CPLX *) p)[0];
}
/*
// Not needed for trace calculations.
static void my_stfpd(double *p,CPLX x) {
((CPLX *) p)[0] = x;
}
static CPLX my_fxsmul(CPLX x,double a) {
double y[2];
y[0] = a * my_creal(x);
y[1] = a * my_cimag(x);
return ((CPLX *) y)[0];
}
static CPLX my_fxcpmadd(CPLX t,CPLX x,double a) {
double y[2];
y[0] = my_creal(t) + a * my_creal(x);
y[1] = my_cimag(t) + a * my_cimag(x);
return ((CPLX *) y)[0];
}
*/
static CPLX my_fpmul(CPLX x,CPLX y) {
union {
double z[2];
CPLX c;
} U;
U.z[0] = my_creal(y) * my_creal(x);
U.z[1] = my_cimag(y) * my_cimag(x);
return U.c;
}
static CPLX my_fpadd(CPLX x,CPLX y) {
union {
double z[2];
CPLX c;
} U;
U.z[0] = my_creal(y) + my_creal(x);
U.z[1] = my_cimag(y) + my_cimag(x);
return U.c;
}
static CPLX my_fpmadd(CPLX t,CPLX x,CPLX y) {
union {
double z[2];
CPLX c;
} U;
U.z[0] = my_creal(t) + my_creal(y) * my_creal(x);
U.z[1] = my_cimag(t) + my_cimag(y) * my_cimag(x);
return U.c;
}
#define __creal my_creal
#define __cimag my_cimag
#define __lfpd my_lfpd
#define __stfpd my_stfpd
#define __fxsmul my_fxsmul
#define __fxcpmadd my_fxcpmadd
#define __fpadd my_fpadd
#define __fpmul my_fpmul
#define __fpmadd my_fpmadd
#else
#define CPLX double _Complex
#endif
void ttr_bg_5_8_3_v2r3(const double * restrict A,
const double * restrict B0,double * restrict tout0,
const double * restrict B1,double * restrict tout1,
const double * restrict B2,double * restrict tout2) {
CPLX Areg1,Areg2,Areg3;
CPLX B0reg1,B0reg2,B0reg3,B1reg1,B1reg2,B1reg3,B2reg1,B2reg2,B2reg3;
CPLX T0reg1,T0reg2,T0reg3,T1reg1,T1reg2,T1reg3,T2reg1,T2reg2,T2reg3;
Areg1 = __lfpd(&A[0]) ;
B0reg1 = __lfpd(&B0[0]) ;
B1reg1 = __lfpd(&B1[0]) ;
B2reg1 = __lfpd(&B2[0]) ;
T0reg1 = __fpmul(Areg1,B0reg1) ;
T1reg1 = __fpmul(Areg1,B1reg1) ;
T2reg1 = __fpmul(Areg1,B2reg1) ;
Areg2 = __lfpd(&A[2]) ;
B0reg2 = __lfpd(&B0[2]) ;
B1reg2 = __lfpd(&B1[2]) ;
B2reg2 = __lfpd(&B2[2]) ;
T0reg2 = __fpmul(Areg2,B0reg2) ;
T1reg2 = __fpmul(Areg2,B1reg2) ;
T2reg2 = __fpmul(Areg2,B2reg2) ;
Areg3 = __lfpd(&A[4]) ;
B0reg3 = __lfpd(&B0[4]) ;
B1reg3 = __lfpd(&B1[4]) ;
B2reg3 = __lfpd(&B2[4]) ;
T0reg3 = __fpmul(Areg3,B0reg3) ;
T1reg3 = __fpmul(Areg3,B1reg3) ;
T2reg3 = __fpmul(Areg3,B2reg3) ;
Areg1 = __lfpd(&A[8]) ;
B0reg1 = __lfpd(&B0[8]) ;
B1reg1 = __lfpd(&B1[8]) ;
B2reg1 = __lfpd(&B2[8]) ;
T0reg1 = __fpmadd(T0reg1,Areg1,B0reg1) ;
T1reg1 = __fpmadd(T1reg1,Areg1,B1reg1) ;
T2reg1 = __fpmadd(T2reg1,Areg1,B2reg1) ;
Areg2 = __lfpd(&A[10]) ;
B0reg2 = __lfpd(&B0[10]) ;
B1reg2 = __lfpd(&B1[10]) ;
B2reg2 = __lfpd(&B2[10]) ;
T0reg2 = __fpmadd(T0reg2,Areg2,B0reg2) ;
T1reg2 = __fpmadd(T1reg2,Areg2,B1reg2) ;
T2reg2 = __fpmadd(T2reg2,Areg2,B2reg2) ;
Areg3 = __lfpd(&A[12]) ;
B0reg3 = __lfpd(&B0[12]) ;
B1reg3 = __lfpd(&B1[12]) ;
B2reg3 = __lfpd(&B2[12]) ;
T0reg3 = __fpmadd(T0reg3,Areg3,B0reg3) ;
T1reg3 = __fpmadd(T1reg3,Areg3,B1reg3) ;
T2reg3 = __fpmadd(T2reg3,Areg3,B2reg3) ;
Areg1 = __lfpd(&A[16]) ;
B0reg1 = __lfpd(&B0[16]) ;
B1reg1 = __lfpd(&B1[16]) ;
B2reg1 = __lfpd(&B2[16]) ;
T0reg1 = __fpmadd(T0reg1,Areg1,B0reg1) ;
T1reg1 = __fpmadd(T1reg1,Areg1,B1reg1) ;
T2reg1 = __fpmadd(T2reg1,Areg1,B2reg1) ;
Areg2 = __lfpd(&A[18]) ;
B0reg2 = __lfpd(&B0[18]) ;
B1reg2 = __lfpd(&B1[18]) ;
B2reg2 = __lfpd(&B2[18]) ;
T0reg2 = __fpmadd(T0reg2,Areg2,B0reg2) ;
T1reg2 = __fpmadd(T1reg2,Areg2,B1reg2) ;
T2reg2 = __fpmadd(T2reg2,Areg2,B2reg2) ;
Areg3 = __lfpd(&A[20]) ;
B0reg3 = __lfpd(&B0[20]) ;
B1reg3 = __lfpd(&B1[20]) ;
B2reg3 = __lfpd(&B2[20]) ;
T0reg3 = __fpmadd(T0reg3,Areg3,B0reg3) ;
T1reg3 = __fpmadd(T1reg3,Areg3,B1reg3) ;
T2reg3 = __fpmadd(T2reg3,Areg3,B2reg3) ;
Areg1 = __lfpd(&A[24]) ;
B0reg1 = __lfpd(&B0[24]) ;
B1reg1 = __lfpd(&B1[24]) ;
B2reg1 = __lfpd(&B2[24]) ;
T0reg1 = __fpmadd(T0reg1,Areg1,B0reg1) ;
T1reg1 = __fpmadd(T1reg1,Areg1,B1reg1) ;
T2reg1 = __fpmadd(T2reg1,Areg1,B2reg1) ;
Areg2 = __lfpd(&A[26]) ;
B0reg2 = __lfpd(&B0[26]) ;
B1reg2 = __lfpd(&B1[26]) ;
B2reg2 = __lfpd(&B2[26]) ;
T0reg2 = __fpmadd(T0reg2,Areg2,B0reg2) ;
T1reg2 = __fpmadd(T1reg2,Areg2,B1reg2) ;
T2reg2 = __fpmadd(T2reg2,Areg2,B2reg2) ;
Areg3 = __lfpd(&A[28]) ;
B0reg3 = __lfpd(&B0[28]) ;
B1reg3 = __lfpd(&B1[28]) ;
B2reg3 = __lfpd(&B2[28]) ;
T0reg3 = __fpmadd(T0reg3,Areg3,B0reg3) ;
T1reg3 = __fpmadd(T1reg3,Areg3,B1reg3) ;
T2reg3 = __fpmadd(T2reg3,Areg3,B2reg3) ;
Areg1 = __lfpd(&A[32]) ;
B0reg1 = __lfpd(&B0[32]) ;
B1reg1 = __lfpd(&B1[32]) ;
B2reg1 = __lfpd(&B2[32]) ;
T0reg1 = __fpmadd(T0reg1,Areg1,B0reg1) ;
T1reg1 = __fpmadd(T1reg1,Areg1,B1reg1) ;
T2reg1 = __fpmadd(T2reg1,Areg1,B2reg1) ;
Areg2 = __lfpd(&A[34]) ;
B0reg2 = __lfpd(&B0[34]) ;
B1reg2 = __lfpd(&B1[34]) ;
B2reg2 = __lfpd(&B2[34]) ;
T0reg2 = __fpmadd(T0reg2,Areg2,B0reg2) ;
T1reg2 = __fpmadd(T1reg2,Areg2,B1reg2) ;
T2reg2 = __fpmadd(T2reg2,Areg2,B2reg2) ;
Areg3 = __lfpd(&A[36]) ;
B0reg3 = __lfpd(&B0[36]) ;
B1reg3 = __lfpd(&B1[36]) ;
B2reg3 = __lfpd(&B2[36]) ;
T0reg3 = __fpmadd(T0reg3,Areg3,B0reg3) ;
T1reg3 = __fpmadd(T1reg3,Areg3,B1reg3) ;
T2reg3 = __fpmadd(T2reg3,Areg3,B2reg3) ;
T0reg1 = __fpadd(T0reg1,T0reg2) ;
T1reg1 = __fpadd(T1reg1,T1reg2) ;
T2reg1 = __fpadd(T2reg1,T2reg2) ;
T0reg1 = __fpadd(T0reg1,T0reg3) ;
T1reg1 = __fpadd(T1reg1,T1reg3) ;
T2reg1 = __fpadd(T2reg1,T2reg3) ;
*tout0 = __creal(T0reg1) + __cimag(T0reg1) ;
*tout1 = __creal(T1reg1) + __cimag(T1reg1) ;
*tout2 = __creal(T2reg1) + __cimag(T2reg1) ;
}
c4science · Help