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Showing 9 open source projects for "modern fortran"
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NESSIE is a modern first-principle calculation software that can adequately address the need for ever-higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, as well as pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials. NESSIE is an electronic structure code that uses a real-space FEM discretization and domain-decomposition (DD) to perform all-electron ground-state DFT and real-time excited...
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Fosite - advection problem solver
numerical simulation code for solving transport equations in 1D/2D/3D
... been implemented including viscous diffusion and gravitational acceleration. Fosite is written with object-oriented patterns in Fortran 2003 and follows the Structure of Arrays (SoA) layout, operating on generic field datatypes. This allows for high performance on modern architectures (SIMD). It is parallelized and vectorized. The software is thereby optimized for the NEC SX-Aurora TSUBASA Vector Engine . -
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scnu
Fortran codes for SCNURS method - Side Cut Non-Uniform Residual Stress
SCNURS - Side Cut Non-Uniform Residual Stress measurement method for plates, - is a destructive RS measurement method developed in Moscow, Russia and later in Bristol, UK. The method is specifically designed for the measurement of highly non-uniform RS fields, including discontinuities, in plates. This project collects all codes which implement forward and inverse solution to the RS problem. The codes are in modern Fortran with OpenMP. The codes are distributed under 2-clause BSD license... -
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chemfiles
Modern library for chemistry file reading and writing
Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more. Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is - unified: the same code will work with all... -
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ParaFEM
Parallel finite element analysis
ParaFEM is an open source platform for parallel finite element analysis. The source code and philosophy are documented in the text book Smith, Griffiths and Margetts, "Programming the Finite Element Method", 5th Edition, Wiley, 2014. The software is written in modern Fortran and uses MPI for message passing. -
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optpack
FE simulation based automatic global optimisation in modern Fortran
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... -
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The Moving Finite Elements project hosts a collection of simulation codes for time-dependent PDE systems that implement various forms of Keith Miller's gradient-weighted moving finite element (GWMFE) method. The Calliope sub-project aims to provide new reference implementations in modern object-oriented Fortran. Click on the Calliope tab on the main project menu bar.
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Larch: Data Analysis for X-ray Spectra
Data Processing and Analysis for X-ray Spectroscopy and More
Larch is a scientific data processing language that is designed to be easy to use for novices and complete enough for advanced data processing and analysis. Larch provides a wide range of functionality for dealing with arrays of scientific data, and basic tools to make it easy to use and organize complex data. Larch has been primarily developed for dealing with x-ray spectroscopic and scattering data, especially the kind of data collected at modern synchrotrons and x-ray sources. Larch... -
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Runge
Runge is an Interactive Solver for Systems of Differential Equations
Runge is an Interactive Solver for Systems of Ordinary Differential Equations. It solves initial value problem (aka Cauchy problem). Few advantages Runge provides: It's fast. It utilizes BLAS and LAPACK libraries optimized for modern multi-core processors. It's interactive. It allows you to start a solution by mouse click on a plane. It's precise. It uses Runge Rule to adjust step length to satisfy required precision on each step. It's effective. When it needs to compute... -
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