SunlightDPD

SunlightDPD @

SunlightDPD is a home for open source software related to the dissipative particle dynamics (DPD) simulation method.

Hypernetted chain (HNC) integral equation code

>>> JUNE 2015: development has now moved to https://github.com/patrickbwarren/SunlightHNC <<<

You are of course welcome to use and modify this code for your own projects. If you end up publishing results based on this code, or a derived version, please cite :

Screening properties of Gaussian electrolyte models, with application to dissipative particle dynamics, P. B. Warren, A. Vlasov, L. Anton and A. J. Masters, J. Chem. Phys. 138, 204907 (2013).

If you have difficulty getting hold of this article, contact me and I will send a reprint. Alternatively, a preprint version can be found at arXiv:1303.0891

Here is a BibTeX entry for the same :

@article{WVA+13,
  author         = {Warren, P. B. and Vlasov, A. and Anton, L. and Masters, A. J.},
  title          = {Screening properties of {G}aussian electrolyte models,
                   with application to dissipative particle dynamics},
  journal        = {J. Chem. Phys.},
  volume         = {138},
  pages          = {204907},
  year           = 2013
}

History :

v1.0 - initial file release, supports hyper-netted chain (HNC),
v1.1 - add support for random phase approximation (RPA) as a simplified case,
v1.2 - add support for EXP improvement to RPA.
v1.3 - add published URPM examples - see J. Chem. Phys. 138, 204907 (2013).
v1.4 - add scripts relating to calculation of URPM phase boundaries.

Simulation codes

MB-MPDyn is forked (with permission) from the original version - see CVS repository, whilst we sort out an initial file release.

Copying

SunlightDPD is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.

SunlightDPD is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with SunlightCBM. If not, see <http://www.gnu.org/licenses/>.

Copyright is retained by the individual authors. Please feel free to get in touch if you want to discuss alternative licensing arrangements.

Authors

Integral equations : Andrey Vlasov, Lucian Anton, Andrew Masters, Patrick Warren.
MB-MPDyn : Wataru Shinoda (original code), Ard van Bergen (Novidec) for modifications.

Contact : patrick.warren{at}unilever.com (sourceforge project admin)