Argon Simulation

Requirements

• CMake >= 2.8.3
• Compilator with C++14 support
• CPU with AVX support

Running environment

Tested only under ArchLinux x86_64.

Compilation

mkdir build
cd build
cmake ..
make

Input file

File name

parm.conf

File format

n: 5
f: 10000 
L: 2.3
tau: 1e-2
T_o: 1000
S_o: 100
S_d: 2000
S_out: 20
S_xyz: 200
a: .38

Output file

File name

dat.xyz

File format

.xyz file format from jmol.

N – atoms
#t = time passed in simulation in ps
Ar x y z E_kin – N times