[gmx-developers] C++ in kernels

[Roland Schulz]

Hi,

is there any reason to limit C++ in performance critical code as long as it
doesn't impact performance? So far it seems that C++ hasn't been used in
any compute intensive functions so I wanted to check. Specially we would
like to change the variable says arrays in e.g nbnxn_pairlist_t (those with
_nalloc) to stl::vector. This would simplify the code and would it make it
easier to copy the data for MIC offload.

Roland

-- 
ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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