robinellison/codes

Various utility and teaching codes

Cameron F Abrams, Drexel University, Philadelphia, Pennsylvania
[email protected]
215 895 2231
(c) 2016

INTRODUCTION

This is a set of standalone C programs I've written through the years for various reasons. Many are for teaching molecular simulations and some are just nice data processing codes. A bare-bones list of the codes follows; more documentation will be added as I find the time.

2ddist.c -- computes 2-D histograms
bd1.c -- simple restrained 1-D Brownian dynamics
code01.c --
condorcet.c -- Condorcet voting simulation
flyvbjerg.c -- blocked-averages computation a la Flyvbjerg and Petersen
hdb.c --
hdb-fig.c --
hdisk.c --
hdisk-fig.c --
hhd.c -- Harter-Heightway Dragon drawing program
hist2p.c --
intg.c -- numerical integration
ising.c -- simple Ising lattice MC simulation
isingC.c --
isingH.c --
isingU.c -- Ising lattice Umbrella-Sampling simulation
mclj.c -- MC simulation of Lennard-Jones fluid
mclj_npt.c -- MC simulation of Lennard-Jones fluid in NPT ensemble
mclj_ti.c -- MC simulation of Lennard-Jones fluid that computes dU/d-lambda for thermodyn. intg.
mclj_widom.c -- MC sim. LJ fluid for Widom test particle insertion calculations
mdlj_and.c -- MD sim. LJ fluid with Andersen thermostat
mdlj_ber.c -- MD sim. LJ fluid with Berendsen thermostat
mdlj_berp.c --
mdlj.c -- simple MD simulation of LJ fluid
mdlj_dpd.c -- MD sim. LJ fluid with dissipative-particle dynamics thermostat
mdlj_lan.c -- MD sim. LJ fluid with Langevin thermostat
mdljlc.c -- MD sim. LJ fluid illustrating link-cell algorithm
mdlj_nhc.c -- MD sim. LJ fluid with Nose-Hoover thermostat
mdswsi.c -- MD sim. of Stillinger-Weber silicon
mktiff.c --
msd.c --
p2corr.c --
rdf.c --
slavg.c --
stitch.c --
vacf.c --
wl-w.c --
ydist.c -- computes 1-D histograms and density distribution functions