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I send all emails to the email list set up by the university; I cannot change that list, and I will ignore any bounces. Late registration and missed assignments: If you register late and miss the first assignment, then the lowest of your subsequent assignment marks will be applied to assignment. Doing anything else would not be fair to all the other students who have worked hard on the first assignment. If you miss any other assignment, then you will get zero for it, unless you have a medical or compassionate excuse, in book which thesis case your average assignment mark will be applied for that assignment. Last update to this page: Monday, 31-Jul-2017 14:26:59 edt. Time this document was displayed or cached: tuesday, 17-Jul-2018 09:35:55 edt.
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atoms) int i; half-force step for ( i 0; i). This page contains general information about the course. Seg2105 (September 2014 taught by, prof. I have taught this course about 28 times since 1991. It formerly was offered under codes seg2100, seg3300 and csi3111. Material on this page applies equally to section a and sectin. Key links you will use often. Current important notes, textbook: Please check out the web site of our textbook for the course: Object, oriented Software Engineering: Practical Software development using uml and java, 2nd edition.
double K; kinetic energy double U; potential energy double H; total essay energy double T; kinetic temperature structure for the properties of one atoms struct Atom double rx, ry, rz; position double px, py, pz; momentum double fx, fy, fz; force ; function to set. i 0; then put back j j 1; and move to next y level if ( j*a l -.0e-6 ) outside box? j 0; then put back k k 1; and move to next z level if ( k*a l -.0e-6 ) outside box? i 0; then back to the start j 0; k 0; function dealing with periodic boundary conditions: increases or decreases *u until -L/2.5*L ) u u - l; return u; function to compute forces void computeForces(struct Atom atoms) int i, j; particle indices double. Fx - fij*dx; atomsj. Fy - fij*dy; atomsj. Fz - fij*dz; u u eij; function for gaussian random variables double gaussian static int have 0; static double x2; double fac, y1, y2, x1; if ( have 1 ) already one available? have 0; return x2; else generate a pair of random variables y1 drand48 y2 drand48 fac sqrt(-2*log(y1 have 1; x1 fac*sin(2*M_PI*y2 x1 and x2 are now gaussian x2 fac*cos(2*M_PI*y2 so store one return x1; and return the other.
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C * * Example of a lennard-Jones simulation in C * (problem 3 of assignment 3 in chm1464) * * Input (from standard input * * number of particles * density of the system * initial temperature (standard deviation of the velocities) * runtime. K, temperature t, fluctuations * * Notes: * * - to compile: cc ljexample. C -o ljexample -lm -O3 -ffast-math * * - to run: ljexample * or: ljexample output. Dat * where input parameters are listed in the file "i * and output is redirected to the file "output. appropriate values for the equilibrium time are best found by * doing a short run and seeing when the potential energy has reach a * stationary value. all reported energies values are divided by the number of particles. fluctuations are the root mean square of h-, with the mean. this program is intended for small systems, so no attempt was * made to implement cell divisions or Verlet neighbor lists. Ramses van Zon, the 13 november 2008 include include include properties of the system const double.0; outer cutoff radius const double rcp.5; inner cutoff, or start of smoothing int N; number of particles double rho; density of the system double L;.