-
Notifications
You must be signed in to change notification settings - Fork 0
Barostat of DPD (dissipative particle dynamics)
License
luckti/barostat
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
Dissipative particle dynamics refers to a particlebased numerical method in which the dynamicsof particles that interact through conservative, dissipative, and random forces are computed. The method is coarse-grained molecular dynamicsand has the ability to capture flow at mesoscopic scales, i.e., those scales that lie between microscopic and macroscopic ones. The barostat is a tool to control the pressure in molecular dynamics method. The Berendsen barostat proposes an external bath so that the global pressure is weakly coupled to this pressure bath and the volume periodically rescaled, using the principle of the least local perturbation consistent withthe required global coupling. This DPD package is an open-source code, distributed freely under the terms of the GNU Public License (GPL). ----------------------------------------------------------------------- The package distribution includes the following files and directories: README this file LICENSE the GNU General Public License (GPL) src source files data the initial parameters and output data compile.sh the shellscript to compile the fortran code in src Good luck with your DPD simulations! If you have any bugs, conecting me by [email protected]
About
Barostat of DPD (dissipative particle dynamics)
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published