Option in config/makefile.h: USE FFTW


Click here for full thread
Just Got Here
Hi there, this is my first post on this forum. It is great to see it running and being used.

I can see that the default build FFT component of NWChem is a mixture of FFTPACK and pfft.

I noticed that this option to use FFTW was available, and was wondering if therefore NWChem can be built with an externally compiled FFT library such as FFTW ? If so, can it completely replace the need for FFTPACK and pfft ?

Thanks for your time.