comments.org
b45fb6713b7flammm-devel

comments.org
View Options

			* Potential code
			Pros
			+ code very clean
			+ well documented

			Cons
			- per-atom data structures, no arrays. [[file:pair_runner.h::/%20class%20RuNNer_forces][example]]
			Cons
			- slower than necessary
			- make calculations extremely verbose and difficult to double-check [[file:pair_runner.cpp::1942][vector operations]]
			Pros
			+ makes code readable
			- heavy use of naked pointers [[file:pair_runner.h::RuNNer_atom%20**a%3B%20/%20atoms][example]],
			- makes code fragile and leak-prone
			- requires many
			1. clean-up/deletion functions: [[file:pair_runner.cpp::PairRuNNer::~PairRuNNer()][main destructor]], [[file:pair_runner.cpp::PairRuNNer::RuNNer_forces::~RuNNer_forces()%20{][forces-destructor]]
			2. conditional destructors: [[file:pair_runner.cpp::PairRuNNer::RuNNer_symfuncGroup::~RuNNer_symfuncGroup()%20{][symfunc_destructor]]
			3. and per time-step cleanup??? [[file:pair_runner.cpp::void%20PairRuNNer::pt_delete()%20{][per-timestep deletor]]
			- makes extending the code tricky
			- A lot of useless copies [[file:pair_runner.cpp::int%20num%20%3D%20G->num%20%3B][calc_G_dG]]
			- No const-correctness [[file:pair_runner.cpp::1994][non-const read-only array]]
			- error-prone and potentially inefficient


			** Memory analysis
			- No leaks in sequential mode
			- Fixed a few unclean potential buffer overflows