Collection of functions commonly encountered in C/C++ programs for physical modelling and simulation. This library does not require external libraries, except for solving some eigenvalue problems (BLAS/LAPACK).
This software is freely distributed under the Apache 2.0 (Version 2.0, January 2004) license WITHOUT WARRANTY, see LICENSE.txt.
- Kinetic Monte Carlo
- Variable step size method
- LatticeLIB (both C/C++)
- Periodic and non-periodic simple cubic (sc) and hexagonal close packed (hcp) lattices
- Transformations (reflect, rotate), finding neighbours within cutoff radius.
- (in development) Structure to build custom lattices.
- Mathematics (both C/C++)
- Fourier (adapted from RosettaCode; for an efficient alternative see e.g. fftw)
- LUdecomposition (adapted from lawliet89)
- Polynomial (adapted from uni-koeln)
- QR decomposition (adapted from jcchurch)
- Array statistics: min, max, abs, mean, variance, standard deviation
- (BLAS/LAPACK) Solve eigenvalue problem symmetric matrices
- Numerical Methods (both C/C++)
- Interpolation
- Bisection method
- Read Text Files (uses String Operations module) (both C/C++)
- Determine number of header lines, number of columns, number of data lines.
- Read rows and columns
- String Operations (both C/C++)
- Read word from string, count words in a string.
- Statistics from file with column data
- Header recognition
- min/max, mean, variance, se of mean, median, quartiles
- Fourier transform to Q space
- Radial averaging in Q space
- Radial correlation function
- Principle Moments of Inertia (uses Mathematics and BLAS/LAPACK)
- Gnuplot demo for producing .eps and .pdf format graphs:
sudo apt-get install gnuplot
- GNU Octave / Matlab scripts
sudo apt-get install octave
Download:
Download from , or clone
git clone https://github.com/CharleySchaefer/ZiltoidLIB
Installation:
Option 1 - Standard C/C++ without external dependencies): The static library can be build for C without external dependencies using
./makeZiltoidLIB.sh
or, equivalently, using
./makeZiltoidLIB.sh --gcc
For C++, the library can by build using
./makeZiltoidLIB.sh --g++
Option 2 - Including external BLAS/LAPACK: (linear algebra libraries)
Install BLAS/LAPACK:
sudo apt-get install libblas-dev liblapack-dev
Compile library:
./makeZiltoidLIB.sh --include-lapack
Option 3 - Debugging (for development):
./makeZiltoidLIB.sh -g
Debugging can be done e.g. using valgrind:
sudo apt-get install valgrind
Usage:
Include the library in main.c or main.h of custom software using
#include "path-to-ziltoidlib/ZiltoidLIB.h"
Compile the software using
gcc main.c -Lpath-to-ziltoidlib -lZiltoidLIB -lm