Search Results for "linux programs"

PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface. One of the main advantages here is that the user can use...

OpenFrames has moved its primary development repository to GitHub! Everything else will follow. Get it at https://github.com/ravidavi/OpenFrames/wiki OpenFrames is an Application Programming Interface (API) that allows developers to provides the ability to add interactive 3D graphics to any scientific simulation. A simulation developer can use OpenFrames to specify what they want to visualize, without having to know any details of computer graphics programming. OpenFrames is currently...

A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032

A collection of Fortran 2003, 90 and 77 routines, modules and programs for automatic simulation based global constrained optimisation. The initial application is for FE simulation of elasto-plastic buckling of steel rods aimed at tuning the hardening model. Unix shell scripts are used extensively. High concurrency is achieved with parallel multi-start global search and with parallel MPI FE. Powell's BOBYQA or LINCOA are used (not included in this package). Automatic mesh generation of 3D...

User friendly interface for calculating electronic properties in graphene-like ribbons. The programs uses the tight binding approximation and mean field Hubbard model to predict electronic properties of graphene-like nanoribbons. See Discussion to ask questions or details Update: New versions of this program will be known as quantum-honeycomp

is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html