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Showing 17 open source projects for "program"
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ransfoil
console to calculate airflow around an airfoil based on RANS approach
RANSFOIL is a console program to calculate airflow field around an isolated airfoil in low-speed, subsonic, transonic or supersonic regime by numerically solving the Reynolds averaged Navier-Stokes (RANS) equations using mature computational fluid dynamics (CFD) method. As postprocess results, the aerodynamic parameters of the airfoil, e.g., lift coefficient and drag coefficient, can be integrated from the airflow distribution near wall boundary. -
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PhiPsi
An eXtended Finite Element Method (XFEM) Software.
...PPView contains the latest executable program of PhiPsi. Features of PhiPsi: ○ Supported analysis type: 2D, 3D static analysis; 2D, 3D hydraulic fracturing analysis; 2D, 3D dynamic analysis; and 2D field problems analysis. ○ Support as many as 1000 fractures, voids and inclusions. ○ Intersection of 2D and 3D fractures, intersection of fracture and voids or inclusion. ○ Keywords file support with parameter definition and four operations (+, -, *, and /) -
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Mendel’s Accountant is a biologically realistic, forward-time, parallel, numerical simulation program which models genetic change within a population, as affected by mutation and selection.
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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.
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Quantum Honeycomp
Interactive program to calculate electronic properties in graphene
Calculate electronic properties of graphene-like systems with a user friendly interface. The code uses the tight binding approximation and it is able to stude in a 0D, 1D and 2D geometries, orbital and magnetic fields, intrinsic and extrinsic spin-orbit coupling, sublattice imbalance, and interactions at the mean field level. The most recent version can be found in https://github.com/joselado/quantum-honeycomp Example... -
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ETFOMM (Enhanced Transportation Flow Open-source-simulation Microscopic Model) is sponsored by a US DOT SBIR Program. The objective of the project is to establish a transportation flow simulation software program and its Application Program Interface. ETFOMM can be used as a DLL as a substitute for CORSIM in the TSIS package. It is compatible with TRAFED and TRAFVU. ETFOMM can also be used as a separate executable from a Windows or Linux command line. ...
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Newton-X
Newtonian dynamics near the crossing seam
NX is a program for nonadiabatic molecular dynamics in the electronic excited states. It is based on the surface hooping approach. -
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graphene-like-ribbons
Calculate electronic properties of graphene-like nanoribbons
...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 -
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piv_clustering
structural clustering of atomic trajectories based on PIV
This program allows to perform a structural cluster analysis of atomic trajectories obtained, e.g., from molecular dynamics simulations. At variance with other approaches, it is possible to analyse also processes in solution, e.g., chemical reactions in liquid water, since the distance metric is based on a Permutation Invariant Vector (PIV) that is symmetric under exchange of identical atoms or molecules, including on the same footing both solute and solvent degrees of freedom. ... -
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SMMP (Simple Molecular Mechanics for Proteins) is a program library for protein simulations with an emphasis on advanced Monte Carlo algorithms. It includes various force fields to calculate the energy of a protein and protein-protein interactions.
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COMIS (Conjunction of Multizone Infiltration Specialists) is a multizone airflow simulation program.
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The aim of project is creating program environment for solving some integral equations, arising at solving mathematical problems of the diffraction theory.
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GNU Pinch is a tool for the analysis of the energy consumptions of industrial processes. Given a process involving energy requirements, the program delivers a report of the most efficient heat exchanger network in terms of consumption and fixed costs.
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BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.
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pyPulsar is a program for simulation and fitting of solid-state NMR spectra. It provides scripting facilities using Python. (This project was not developed for a long time: It will be soon moved in a new project currently developed)
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HYP CFD is a structured, 3-D Navier-Stokes, MPI parallel multi-block computational fluid dynamics program for fluid thermophysics research, and high speed aerospace vehicle and propulsion applications.
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