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cp2k/tools/minimax_tools
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Ole Schütt 1296fc9c28 update to 2026
2026-01-01 16:06:41 +01:00
..
minimax_to_fortran_source.py update to 2026 2026-01-01 16:06:41 +01:00
README new eri_mme and minimax packages (no code changes, just moving files) 2016-07-23 12:44:59 +00:00
wget_minimax.sh Revive minimax_to_fortran_source.py 2021-11-17 15:22:35 +01:00

README 

Scripts to generate the minimax_k53.F source file that contains minimax coefficients 
to approximate 1/x as a sum over exponential functions.

Based on tabulated coefficients from
D. Braess and W. Hackbusch, IMA Journal of Numerical Analysis 25.4 (2005): 685-697
http://www.mis.mpg.de/scicomp/EXP_SUM/1_x

Usage:
first execute
./wget_minimax.sh
to download the data and then execute
./minimax_to_fortran_source.py
to create (overwrite) the cp2k/src/minimax/minimax_k53.F file