Coral iMD VR
This is simple implementation of Coarese-grained general purpose interactive Molecular Dynamics simulation on Virtual Reality. Supported VR platform is Oculus Rift.
Requirements
- Unity 2019.4.15f
Project Setup
- Import
Oculus Integration 20.1from Asset Store. - Restart Unity and accept updates.
- Configure settings following https://developer.oculus.com/documentation/unity/unity-conf-settings/ .
- Import NuGetForUnity. The unitypackage file is here.
- Restart Unity and accept updates.
- Import the scene from
Project>Assets>Scenes>Main.
Input file format
You can specify each parameter of lennard-jones system, for example, radius of a specific particle, size of the simulation box, temperature and so on, by input file based on Toml format.
When you execute simulation from play button of Unity application, locate your input file as (ProjectRoot)/input/input.toml in Project folder.There is sample input file there.
When you execute simulation by the binary file in (ProjectRoot)/bin folder, locate your input file as (ProjectRoot)/bin/input/input.toml.
The detail of file format is like below. This file is a subset of Mjolnir's format.
[simulator]
integrator.type = "UnderdampedLangevin"
integrator.gammas = [
{index = 0, gamma = 0.083424},
{index = 1, gamma = 0.053108},
# ...
]
[[systems]]
attributes.temperature = 300.0
particles = [
{m = 1.00, pos = [ 0.9084463866571024, 2.667970365022592, 0.6623741650618591]}, # particle index 0
{m = 1.00, pos = [-0.39914657537482867, 2.940257103317942, 3.5414659037905025]}, # particle index 1
# ...
]
[[forcefields]]
[[forcefields.local]]
interaction = "BondLength"
potential = "Harmonic"
parameters = [
{indices = [ 0, 1], v0 = 3.822321, k = 60.0},
{indices = [ 1, 2], v0 = 3.822569, k = 60.0},
# ...
]
# ...
[[forcefields.global]]
potential = "ExcludedVolume"
epsilon = 0.6
parameters = [
{index = 0, radius = 2.0},
{index = 1, radius = 2.0},
# ...
]