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build:reqpkgs [2020/08/10 20:31] – [Fast Fourier Transforms] Xavier Gonzebuild:reqpkgs [2020/08/10 20:32] (current) – [LibXC] Xavier Gonze
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 The main library in wide use today is the FFTW3 which is very powerful, threaded, and optimized to death.  The main library in wide use today is the FFTW3 which is very powerful, threaded, and optimized to death. 
  
-The vendor optimized mkl, ESSL and other libraries often provide versions of FFTW3 - use these as a priority+The vendor optimized mkl and other libraries often provide versions of FFTW3 - use these as a priority
  
 There exist other FFT libraries on the market, but abinit does not support them systematically.\\ Check the options of the configure script for more details. There exist other FFT libraries on the market, but abinit does not support them systematically.\\ Check the options of the configure script for more details.
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 ===== LibXC ===== ===== LibXC =====
  
-LibXC is a library implementing almost all known exchange correlation functionals.\\ It is almost a strict requirement for abinit usage - you gain access to many xc approximations, metaGGAs and so on: you want this.+LibXC is a library implementing almost all known exchange correlation functionals.\\ Since ABINITv9 it is a strict requirement for abinit usage - you gain access to many xc approximations, metaGGAs and so on: you want this.
  
 You can download LibXC from its [[https://www.tddft.org/programs/libxc/download/|Download page]]. You can download LibXC from its [[https://www.tddft.org/programs/libxc/download/|Download page]].
build/reqpkgs.1597084285.txt.gz · Last modified: 2020/08/10 20:31 by Xavier Gonze