Unix-based preparation and analysis toolbox for molecular simulations
Unix-based preparation and analysis toolbox for Nanomaterials and Room Temperature Ionic Liquids in Bulk and Slab using bash scripts, Gromacs tools and Matlab functions.
NaRIBaS provides a framework that decouples user input parameter and terminal based command lines. NaRIBaS does not replace a simulation software and specific analysis tools like Gromacs, but it allows iterative repetition of tasks while changing specific input parameter.
The toolbox is to be understood as a scripting...
NOSE is a package for simulation of linear and non-linear optical and infrared spectra, including absorption, fluorescence, circular dichroism, pump-probe, photon echo and other.
Ordinary Differential Equation (ODE) solver for Tcl. Handles both stiff and non-stiff sets of equations; does time-evolved initial value problems and root finding. Based on the popular Lawrence Livermore solver LSODE.
BeamGoo is a GUI front-end for linear accelerator particle simulation codes. It currently supports Impact-t, and is designed to be easily converted to other systems. It is built entirely in TCL, and is platform-independent.
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