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37 /* This file is completely threadsafe - keep it that way! */
42 #include "gromacs/gmxlib/network.h"
43 #include "gromacs/utility/arrayref.h"
44 #include "gromacs/utility/smalloc.h"
55 void destroy_bin(t_bin *b)
65 void reset_bin(t_bin *b)
70 int add_binr(t_bin *b, int nr, const real r[])
76 if (b->nreal+nr > b->maxreal)
78 b->maxreal = b->nreal+nr;
79 rest = b->maxreal % MULT;
82 b->maxreal += MULT-rest;
84 srenew(b->rbuf, b->maxreal);
87 rbuf = b->rbuf+b->nreal;
89 #if (defined __ICC && __ICC >= 1500 || defined __ICL && __ICL >= 1500) && defined __MIC__
90 #pragma novector /* Work-around for incorrect vectorization */
92 for (i = 0; (i < nr); i++)
103 int add_binr(t_bin *b, gmx::ArrayRef<const real> r)
105 return add_binr(b, r.size(), r.data());
108 int add_bind(t_bin *b, int nr, double r[])
114 if (b->nreal+nr > b->maxreal)
116 b->maxreal = b->nreal+nr;
117 rest = b->maxreal % MULT;
120 b->maxreal += MULT-rest;
122 srenew(b->rbuf, b->maxreal);
125 rbuf = b->rbuf+b->nreal;
126 for (i = 0; (i < nr); i++)
137 void sum_bin(t_bin *b, const t_commrec *cr)
141 for (i = b->nreal; (i < b->maxreal); i++)
145 gmx_sumd(b->maxreal, b->rbuf, cr);
148 void extract_binr(t_bin *b, int index, int nr, real r[])
153 rbuf = b->rbuf+index;
154 for (i = 0; (i < nr); i++)
160 void extract_binr(t_bin *b, int index, gmx::ArrayRef<real> r)
162 extract_binr(b, index, r.size(), r.data());
165 void extract_bind(t_bin *b, int index, int nr, double r[])
170 rbuf = b->rbuf+index;
171 for (i = 0; (i < nr); i++)