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93 views

Book recommendation request: A good C++ based software development book for a computational mathematician

I'm hoping that this type of question is on-topic, and I have put in a little hunting to make sure it isn't a flat out repeat. If it is either of the above, I apologize in advance. I'm an early career ...
2 votes
1 answer
795 views

Reference request: C++ and numerical analysis book

I'm a master student with a good Numerical analysis background. I'm going to do a master thesis in the same subject, but I need to use C++ since my advisor loves it, and I also believe it's the best ...
2 votes
2 answers
373 views

Writing code on the CPU while developing, running it on the GPU when live - which approach?

In my simulations I am using dense matrix-vector multiplications and 2D-fft transformations quite often, for matrix sizes of 8kx8k and up. Hence, I assume that using a GPU is beneficial for speeding ...
4 votes
3 answers
1k views

Best software to do big number calculations quickly

I am trying to do some work on some math conjecture. I am testing the conjecture numbers using very large math numbers (100+ digits ). I am currently using python to test these numbers. In the ...
3 votes
2 answers
145 views

C++ library to mutate pdb residues

Are there any open source libraries available to mutate PDB protein residues? If so are do you have any examples of them?
1 vote
3 answers
1k views

C++ mixed integer nonlinear programming (MINLP) solver

Doing research project in material involving (mixed integer nonlinear programming) MINLP problem, we want to implement MINLP based on C++, because the majority of our project is based on C++. What ...
30 votes
9 answers
2k views

What is a good way to run parameter studies in C++

The problem I'm currently working on a Finite Element Navier Stokes simulation and I would like to investigate the effects of a variety of parameters. Some parameters are specified in an input file ...
3 votes
1 answer
334 views

non-smooth convex c++ solver

I happened to know that there are advanced established techniques for non-smooth convex optimization in research. For example, these two papers: Nesterov, "Smooth minimization of non-smooth functions"...
9 votes
2 answers
10k views

Programming Finite Element Methods in C++

I am trying to develop a library for finite element methods in C++ and for that I am looking at the data structures for meshes. Based on what I've read up on fenics and deal.ii, the general ...
7 votes
1 answer
147 views

Do C++ matrix libraries translate compound vector operations to single loops?

I am trying to replicate Fortran90 array syntax using a C++ library. The libraries themselves are discussed at length in this question. They can all do something like this: ...