X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdlib%2Fforcerec-threading.h;h=070b476ec56d5861ad2dd60e8368c9f9c4167884;hb=49630d37fd2076449f8539add2f3c820b74d00ba;hp=b40a18ba32ff37607fd32f8fd21b1363286337cf;hpb=8f4080adeb3649a078827d9a8a197f6d2ca3c918;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdlib/forcerec-threading.h b/src/gromacs/mdlib/forcerec-threading.h index b40a18ba32..070b476ec5 100644 --- a/src/gromacs/mdlib/forcerec-threading.h +++ b/src/gromacs/mdlib/forcerec-threading.h @@ -1,7 +1,7 @@ /* * This file is part of the GROMACS molecular simulation package. * - * Copyright (c) 2014, by the GROMACS development team, led by + * Copyright (c) 2014,2015, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -36,19 +36,11 @@ #ifndef GMX_MDLIB_FORCEREC_THREADING_H #define GMX_MDLIB_FORCEREC_THREADING_H -#include "gromacs/utility/bitmask.h" - #ifdef __cplusplus extern "C" { #endif -struct f_thread_t { - rvec *f; - int f_nalloc; - gmx_bitmask_t red_mask; /* Mask for marking which parts of f are filled */ - rvec *fshift; - real ener[F_NRE]; - gmx_grppairener_t grpp; +struct ewald_corr_thread_t { real Vcorr_q; real Vcorr_lj; real dvdl[efptNR];