Getting Up To SpeedΒΆ

Welcome to the PSim series of computational applications, powered by PolySwift++. The PolySwift++ engine has algorithms that allow simlations of bulk block copolymer mixtures, confined block copolymers and nanocomposite mixtures that uses a hybrid-SCFT method for incorporating particles explicitly in a block copolymer matrix.

This manual, PSim Quick Start, provides hands-on training manual for new users of the PSim series of computational applications. It demonstrates how to carry out simulations using the PSimComposer interface to the input files.

The PSimComposer interface allows you to edit and validate your simulation input files, run simulations in either serial or parallel (thereby utilizing multiple cores or even computational nodes that do not share memory), and visualize results. PSimComposer provides GUI editing of the main input variables of appropriately marked-up input files. However, one can still edit input files in any text editor, execute through the command line and visualize in any tool that understands the HDF5 output.

PSim setup and installation instructions are given in the document, PSim Installation. An introduction to the PSimComposer Graphical User Interface is provided in PSimComposer Introduction.

The subsequent sections provide examples that can be run through PSimComposer. Each section is named for the PSim package or module that is needed to run those examples. That is, the PSimBase chapter contains the examples that can be run with a PSimBase license. All examples can be run with a PSimSuite license.

After learning how to run the PSim applications through PSimComposer, you can turn to the manual, PSim In Depth, to learn how to edit input files directly to create your own custom simulations. All input file blocks are specified in the manual, PSim Reference.