[gmx-developers] size of out->f array
mashayak at votca.org
Tue Jun 30 22:03:20 CEST 2015
I am a bit confused about length/size of the out->f , x, and q arrays.
Looking at the data structures in the nbnxn_pairlist.h, there are two size
related variables, natoms and nalloc. And in nbnxn_atomdata.c, when f, x,
and q arrays are reallocated they are passed nalloc*stride size value. Does
that mean the actual size is nalloc*stride or natoms*stride? Also, I
noticed nalloc and natoms may not be the same.
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