List of C/C++ code

• tops: exact torque-free dynamics of rigid bodies
• vecmat3: efficient 3d vector and matrix classes (C++ only)
• testtops: an example for using tops
• simtop: simulation of interacting rigid bodies
• pa and paxx: piecewise analytic probability distributions (paxx is the c++ version) from sample data

tops: exact torque-free dynamics of rigid bodies

C++ version

code:	tops.h, tops.cc
doc:	topsv2.pdf
needs:	vecmat3.h
version:	version 2, May 2009
version 1:	topsv1.h, topsv1.cc, doctopsv1.pdf

C version

code:	ctops.h, ctops.c
doc:	docctops.pdf

Notes

• R. van Zon & J. Schofield, J. Comp. Phys. (2007).
• R. van Zon & J. Schofield, Phys. Rev. E 75 056701 (2007).
• L. Hernández de la Peña, R. van Zon, J. Schofield & S. B. Opps, J. Chem. Phys 126, 074105 (2007).

vecmat3: efficient 3d vector and matrix classes

C++ only

C++ header file for three dimensional vectors and matrices, using expression templates for efficiency.

code:	vecmat3.h
doc:	vecmat3v2.pdf
version:	version 2, May 2009
version 1:	vecmat3v1.h, docvecmat3v1.pdf

testtops: an example for using tops

C++ version

code:	testtops.cc
needs:	tops.h, tops.cc, vecmat3.h
version:	version 2, May 2009
version 1:	testtopsv1.h

C version

code:	testctops.c
needs:	ctops.h, ctops.c

simtop: simulation of interacting rigid bodies

C++ version

code:	simtop.cc
input:	simtop.ini
needs:	tops.h, tops.cc, vecmat3.h
version:	version 2, May 2009
version 1:	simtopv1.cc

C version

code:	simctop.c
input:	simtop.ini
needs:	ctops.h, ctops.c

Notes

• R. van Zon & J. Schofield, Phys. Rev. E 75 056701 (2007).

pa: piecewise analytic probability distributions from data

Functions to compute piece-wise analytic approximations to probability distributions and potentials of mean force based on sample data, avoiding noisy histograms.

C version

code:	pa.h, pa1.c, pa2.c, pautil.c
doc:	pa.pdf

Applications of pa

testpafit: example of using pafit

code:	testpafit.c
needs:	pa.h, pa1.c, pautil.c

analyze-pdf: construct a piecewise analytic fit of a probability distribution function given sample data

code:	analyze-pdf.c
needs:	pa.h, pa1.c, pautil.c

run-analysis: construct a piecewise analytic fit of a radial distribution function given interparticle distance sample data

code:	run-analysis.c
needs:	pa.h, pa1.c, pa2.c pautil.c

Makefile: can be used to make all three applications of pa.

code:	Makefile
needs:	pa.h, pa1.c, pa2.c pautil.c, testpafit.c, analyze-pdf.c, run-analysis.c

C++ version aka paxx

code:	paxx.h, paxx.cc
doc:	paxx.pdf

Applications of paxx

These c++ applications have the same name and functionality as their c variants above.

paxxtest

code:	paxxtest.cc
needs:	paxx.h, paxx.cc

analyze-pdf:

code:	analyze-pdf.cc
needs:	paxx.h, paxx.cc

run-analysis:

code:	run-analysis.cc
needs:	paxx.h, paxx.cc

Notes

• R. van Zon & J. Schofield, preprint (2009).

Last modified: 2009-11-30