This program compiles 2D interpolation routines for Slater and Yukawa integral evaluation.
* T. Shiozaki, Chemical Physics Letters 479, 160 (2009) at http://dx.doi.org/10.1016/j.cplett.2009.07.108
* T. Shiozaki, Journal of Unsolved Question 1, 1 (2011) at http://junq.info/?p=348
To install, please follow the standard procedure:
glibtoolize (or libtoolize)
aclocal
autoheader
autoconf
automake -a
mkdir obj
cd obj
../configure
make
You need to have a path to BLAS, GMP, and MPFR libraries. In addition, INCLUDE path to the boost library is needed.
They can be passed to configure by, e.g.,
../configure LDFLAGS=...
By running SlaterGen, you will generate source files. They could be copied to ./lib to build a library.
The interface to the function is written in prefix/include/srootlist.h
The current set-up is a little conservative (i.e., less efficient). If you pursue performance, it is better to
find the best settings by changing NGRID or quadrature box defintion.
Please ask questions at shiozaki@qsimulate.com