I was researching this topic for a some time, but I can't find definite answer (and I don't hope to find it there). Is it feasible to do heavy computations using C++? I mean specially computations on large multidimensional arrays.
C++ has mechanisms which can help writing quite clean optimised code (specially templates). I don't know if I remember correctly, but aren't floats in C/C++ promoted in statements to doubles, which can hurt performance? Some of the libraries look good, but how fast and easy are they?
Maybe learning FORTRAN is better alternative. I heard there are new standards which make programming in it more 21st centuary and that it is very popular in scientific community. It is also optimised and easy to use in matrix operations. Does this make learning it a good choice if I want to do computational chemistry, or is it better to learn more C++?