[gmx-developers] size of out->f array

Sikandar Mashayak 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.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20150630/170fc147/attachment.html>

More information about the gromacs.org_gmx-developers mailing list