1 /* { dg-do compile } */
2 /* { dg-additional-options "-mavx2" { target x86_64-*-* i?86-*-* } } */
20 extern real
*save_calloc ();
22 nosehoover_tcoupl (t_grpopts
* opts
, t_groups
* grps
, real dt
, real SAfactor
)
24 static real
*Qinv
= ((void *) 0);
26 real reft
= 0, xit
, oldxi
;
27 if (Qinv
== ((void *) 0))
30 save_calloc ("Qinv", "coupling.c", 372, (opts
->ngtc
),
32 for (i
= 0; i
< opts
->ngtc
; i
++)
33 if ((opts
->tau_t
[i
] > 0))
34 Qinv
[i
] = 1.0 / opts
->tau_t
[i
];
36 for (i
= 0; (i
< opts
->ngtc
); i
++)
40 (opts
->ref_t
[i
] * SAfactor
)) ? (0.0) : (opts
->ref_t
[i
] * SAfactor
));
41 grps
->tcstat
[i
].xi
+= dt
* Qinv
[i
] * (grps
->tcstat
[i
].T
- reft
);