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...Molecular-dynamics analysis; 13. Effective mass of carrier; 14. Symmetry finding and operations; 15. 3D band structures; More details can be found in its official website https://vaspkit.com.

The latest ESMF development is happening in GitHub: https://github.com/esmf-org/esmf https://earthsystemmodeling.org The Earth System Modeling Framework provides high-performance software infrastructure and superstructure for the construction and coupling of climate, weather, and data assimilation applications.

...The Performance Modelling Timing Module, PMTM, is a library that wraps system timing calls to abstract these from code developers and aid portability. It also has functionality to store parameters and print those, along with the timing information to a comma separated variable file. The Performance Modelling Analysis Tool, PMAT, is coming soon. This is able to read in and store the outputs from PMTM and produce some graphs based on user-defined criteria. Documentation found in the Wiki. As of March 2015, main development has been switched to the UK Mini-Application Consortium Github page. Work on PMTM from the unreleased version 2.6.0 can be found here: https://github.com/UK-MAC/PMTM Work on PMAT version 3 will be commencing shortly here: https://github.com/UK-MAC/PMAT Tarballs of releases will continue to be available here.

We've moved to https://github.com/tjod/gMol/wiki gMol is an interactive visualization system used to display and manipulate 3-dimensional models of scientific data, such as molecular structures and surfaces. It contains both OpenGL and web browser widgets that enable flexible user interfaces.

Hy3S uses advanced MPI parallelized hybrid stochastic simulation methods to quickly compute the dynamics of biochemical networks with thousands of species/reactions. Many features included (see Home Page). An easy-to-use GUI (Matlab req) is included.