Search Results for "mpi"
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18 projects for "mpi" with 2 filters applied:
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CAMPARI
Software for molecular simulations and trajectory analysis
We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and... -
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RINGS "Rigorous Investigation of Networks Generated using Simulations" is a scientific code developed in Fortran90/MPI to analyze the results of molecular dynamics simulations. Its main feature is the analysis of the connectivity using ring statistics.
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JDFTx
Joint Density Functional Theory
JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information. -
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GMES
GMES is a free Python package for FDTD electromagnetic simulations.
GMES is a free finite-difference time-domain (FDTD) simulation Python package developed at GIST to model photonic devices. Its features include simulation in 1D, 2D, and 3D Cartesian coordinates, distributed memory parallelism on any system supporting the MPI standard, portable to any Unix-like system, variuos dispersive ε(ω) models, CPML absorbing boundaries and/or Bloch-periodic boundary conditions, and arbitrary material and source distributions. GMES officially stands for GIST Maxwell’s Equations Solver. -
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ViennaWD
Classical and quantum semiconductor device simulation
The ViennaWD package provides a selection of simulation tools supporting classical and quantum approaches for semiconductor device simulation. -
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MPI/C++ code to generate initial conditions for cosmological simulations using multiscale gaussian random fields, based on Edmund Bertschinger's GRAFIC-2 package. Provides a replacement for both grafic1 and grafic2.
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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. The... -
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Computational Fluid Dynamics (CFD) solver aimed to solve multi-physics problems on unstructured grids (inviscid Euler, Navier-Stokes flows, Heat transfer). F90 based. MPI, cgns, Metis libraries used.
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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.
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LIME
LIME is a software tool for creating multiphysics simulation codes.
The Lightweight Integrating Multiphysics Environment for coupling codes (LIME) is a small software package for creating multiphysics simulation codes. LIME is intended to be especially useful when separate computer codes (which may be written in any standard computer language) already exist to solve di fferent parts of a multiphysics problem. LIME provides the key high-level software (written in C++), a well defi ned approach (with example templates), and interface requirements to enable the... -
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...Currently it enables you to get time solvetions for three-level systems. It's generates files with time solvetions for density matrix. In the future It will solve multilevel atomic system on MPI.
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...Provides simulation of 3D CFD problem based on Quasi-Gas Dynamics approach with radiation processes token into account. Lots of spectral intervals are considered. Parallel MPI/OpenMP-based implementation is provided.
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Finds the cosmological power spectrum from a N-body simulation using the MPI FFTW library. May be run as a parallel computation for increased resolution. Reads in binary Gadget2 files.
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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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For a given signal, pstool calculates a one-sided power spectrum, i.e. the portion of a signal's power falling within given frequency bins. This is done by employing a one-dimensional real-to-complex FFT routine on an MPI cluster.
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Framework for blockstructured adaptive finite volume methods. Provides MPI-parallelized variant of the Berger-Oliger AMR algorithm for Beowulf-clusters. Uses Clawpack. Visualization and conversion tools for HDF4 files included.
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GRAnular Media Simulation in C++ using Molecular Dynamics. To be used in PhD work. The code will support: collision, electric dipoles (long range forces), intergranular fluid, and possibly MPI for parallel computing.
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CPPScaLapack is a C++ class wrapper for PBLAS and ScaLAPACK with MPI. CPPScaLapack provides a user-friendly interface of high-speed parallel matrix calculation with BLAS and LAPACK techonologies for programers concerning with large-scale computing.
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