issues
search
TeamOverkill
/
md
Molecular Dynamics
MIT License
0
stars
0
forks
source link
Add initialiser to initialise system
#1
Closed
slaymuel
closed
6 years ago
slaymuel
commented
6 years ago
Set up atomic coordinates.
Assign random coordinates.
Randomly displace each atom iteratively until there is no overlap
SHervoe-Hansen
commented
6 years ago
Assign random velocities according to the Maxwell-Boltzmann distribution, which depends on a) target/reference temperature b) mass of the individual particles.
slaymuel
commented
6 years ago
Done!
Set up atomic coordinates.