-
Discuss the blog post here; share your thoughts, improvements, or any issues you run into so that others can find them.
-
Hi Peter,
We've observed that `NoseHooverIntegrator` consistently takes approximately twice as long to run compared to other integrators (e.g., `LangevinMiddleIntegrator`). This behavior persists a…
-
Would anyone be interested in a patch to add (optional) Velocity Verlet integration? You can see the algorithm here:
http://en.wikipedia.org/wiki/Verlet_integration#Velocity_Verlet
It wouldn't be a …
-
https://github.com/jonasnoki/ca_homework/blob/5b3c30e19848de2191ab08e49d9ce02d2f861dc3/src/Particle.ts#L84
-
Hi Jacob,
I was going through your code on the velocity verlet:
https://github.com/jacobaustin123/Titan/blob/951733fc6caa1c40989664fbe7802a8c10bf9215/src/sim.cu#L1152-L1155
It was implemented dif…
-
Miren lo que me encontré R A Z A:
http://courses.csail.mit.edu/18.337/2017/projects/crabb_emily/MD%20Report.pdf
-
Was removed from #478: a (poor) implementation is available in the diff here: https://github.com/climate-machine/CLIMA/pull/478/commits/08d980d2abef7908329eccb45220b71d9dfa70e8
-
**Is your feature request related to a problem? Please describe.**
Currently the user has to decide, which rebuild frequency and skin radius are useful.
This is not really good, as that requires a l…
-
Velocity Verlet is the most used integration method and used in all/most molecular dynamics packages, physics simulations and games.
http://en.wikipedia.org/wiki/Verlet_integration#Velocity_Verlet
-
Sida 71-77 i MD-boken. Välj mellan Verlet och velocity verlet.
Verlet är enklare och snabbare, men CPU tid är nog inte en stor faktor (se boken).
Velocity verlet är mer avancerad och ger bättre upps…