Skip to content

Added MSD_Time list #9

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
imran-marwat wants to merge 1 commit into
base: master
Choose a base branch
from
Open

Added MSD_Time list #9

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
7 changes: 6 additions & 1 deletion Main
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -155,13 +155,16 @@ If CalculateEnergy == 1.0:
Total_KE = []
Total_E = []

#Uses the velocity verlet method to update position, velocity and force. Outpouts positions to a .xyz file
#Uses the velocity verlet method to update position, velocity and force. Outputs positions to a .xyz file

SDTemp = []
SDContain = []
time_last_saved = 0
T = dt*5
l = 0
MSD_Time_List = []
MSD_Time = 0


while t < maxTime:
oldForce, PE, KE = totalForce(particles)
Expand Down Expand Up @@ -191,6 +194,8 @@ while t < maxTime:
oldForce = newForce
t = t+dt
l = l+1
MSD_Time = MSD_Time + T
MSD_Time_List.append(MSD_Time)


#Calls MSD_Calculator method from Particle 3D
Expand Down