qmckl/TODO.org

• Set up CI on Travis
• Write tests
• malloc/free : Parameters for accelerators?
• TRANSA, TRANSB
• Performance info
• Benchmark interpolation of basis functions
• Complex numbers
• Adjustable number for derivatives (1,2,3)

Set up CI on Travis

Write tests

malloc/free : Parameters for accelerators?

We should define qmckl_malloc and qmckl_free just to give the possibility of the HPC implementations to define how they allocate the memory (on CPU or GPU, using alternatives to malloc/free, etc). A possibility could be to pass the id of a NUMA domain as a parameter of qmckl_malloc, where the domain id is something obtained from the context.

TRANSA, TRANSB

Performance info

Benchmark interpolation of basis functions

Complex numbers

Adjustable number for derivatives (1,2,3)