The Culgi Library is a multi-functional chemistry simulation platform for soft matter research, providing modeling and simulation algorithms covering a range of length and time scales. A unique aspect of the library is that it enables hybrid calculations using novel methods developed by Culgi, including dissipative particle dynamics with Poisson-Boltzmann electrostatics, embedded particle hybrid bead-field simulation methods, mappers between mesoscopic and molecular models, mesoscopic computational fluid dynamics, and mesoscopic and atomistic reaction models.
The library is designed for a range of users from the laboratory chemist to the experienced numerical modeler. Thus, we offer multiple user-friendly interfaces for working with the library. The Culgi Graphical Programming Environment (GPE) provides an easy to learn entry point in which a user can quickly develop sophisticated simulation scripts via a graphical, menu based interface. For users who prefer the flexibility of writing and maintaining their own code, we also provide the option of accessing the library through Python, Tcl, and C++.