|Authors:||Pierre de Buyl, Peter Colberg, Laurens Deprez, Mu-Jie Huang|
RMPCDMD is a software for the simulation of colloids via Molecular Dynamics, embedded in a MPCD fluid. Ready-to-execute simulation programs are provided for the dimer nanomotor in Periodic Boundary Conditions (PBC), the forced Poiseuille flow or for N colloids in PBC. These programs only require the setting of parameters in the ad-hoc text file for execution.
- The simulation of dimer nanomotors, reproducing the pioneering work of Rückner and Kapral [RK07] is well tested.
- This code is a research code, so other features are probably under development. This should not prevent you from using it!
- We have a Tutorial on nanomotor simulations.
- MPCD collision rule for the solvent
- Chemical activity (either catalytic at a colloid or in the bulk)
- Rattle constrained dynamics for rigid bodies
- Walls (specular, bounce-back, virtual particles)
- Hilbert curve based spatial sorting of solvent particles
- H5MD trajectory file output [dBCH14]
- Fortran 2008 codebase using modules and no global variable
- OpenMP multithreaded operation
Development and contact information:
- Development of the code takes place on GitHub.
- The contact for RMPCDMD is the main author, Pierre de Buyl.
- Bug reports are welcome either by email or via GitHub issues
The source code features inline comments, published with Doxygen: api.
Download the documentation as a pdf file (does not have api links).