A Fortran 90 program to model the lattice Boltzmann method
PARAMESH is a package of Fortran 90 subroutines designed to provide an application developer with an easy route to extend an existing serial code which uses a logically cartesian structured mesh into a parallel code with adaptive mesh refinement(AMR).
Advanced numerical instruments: adaptive meshing, FE methods, solvers
Ani2D provides portable libraries for each step in the numerical solution of systems of PDEs with variable tensorial coefficients: (1) unstructured adaptive mesh generation, (2) metric-based mesh adaptation, (3) finite element discretization and interpolation, (4) algebraic solvers.
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
Calculate time ephemerides in convenient form
Project to calculate and distribute the general relativistic corrections to clock rates for the surfaces of various solar system bodies. These corrections are also known as time ephemerides.
Wings for NONMEM (wfn) is a set of DOS batch files and awk scripts to make the use of NONMEM more convenient. Simpler NONMEM execution: nmgo runname Extended control stream with user defined names for THETA(), etc. Automatic structured output ...
libsaxsdocument, libsaxsimage and saxsview; read, convert and view 1D and 2D-files related to Small Angle X-ray Scattering (SAXS).
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.
Project to develop a set of open source tool to help people working in the HVAC/R (heating, ventilation, air conditioning and refrigeration) area.
PCP (Pattern Classification Program) is an open-source machine learning program for supervised classification of patterns. PCP is a binary executable running on Linux and Windows (under Cygwin environment).
Space Science library for Python - contains superposed epoch classes, drift shell tracing, access to magnetic field models, streamline tracing, bootstrap confidence limits, time and coordinate conversions, etc.
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.
Eclim is a set of eclipse and vim plugins to integrate the two projects.
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.
The DUNS (Diagonalized Upwind Navier-Stokes)code is a 2D/3D, structured, multi-block, multi-species,reacting, steady/unsteady, Navier Stokes fluid dynamics code with q-omega turbulence model. It currently uses a diagonalized ADI procedure with upwind diff
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
IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be
A Platform for Multiscale Analysis
This project is mainly focused on development of a platform suitable for multiscale analysis of solids. The initial development is aimed at coupling finite elements with atomistic models and the Arlequin method. The features are: Fully extensible, object oriented Fortran 2003 compliant Many features of the Fortran 2003 standard such as derived data types, type extension, abstract data types, generic procedures, type bound procedures are used to make a flexible and doable code. MPI parallel molecular dynamics with 3 potentials (LJ, EAM, MEAM ). This is based on WARP which is an old version of LAMMPS. To easily understand and work with molecular dynamics/mechanics with effective potentials Interface to several linear equation solvers (MKL, MUMPS, PSBLAS, SPARSKIT) An F03 interface for LAMMPS (C++ version). This is coupled to ABAQUS too. All the LAMMPS object are accessible through the F2003 interface and this is used to concurrently couple LAMMPS
Pyfort is a tool for creating extensions to the Python language with Fortran routines. It supports F77-interfaced routines now, with plans for supporting more of F90 later.
Simple But Powerful VIM Based Build Environment With Flex & Bison
The project's main purpose is to combine the existing open source tools into a powerful development environment. This is not just a Visual Studio like development environment, but also a Notepad upgrade, which can also be used to perform common tasks in daily use.
ThanDxflib is a library, written in Fortran 77, which makes the creation of .dxf drawings easy. The dxf files may be read by any CAD program.
Simulation of EPR spectra of nitroxide biradicals
The program Orthos is developed to performed simulation (including nonlinear least-squares fitting) of EPR spectra of nitroxide biradicals. The program capabilities include simulation of rigid-limit and slow-motional spectra, of both isotropic and aligned samples. The spectra of multiple paramagnetic species, both bi- and monoradicals can be modeled. NB: Please note that now (as of Nov 2016) the distribution is being updated so that to improve reliability, OS-universality, and the quality of documentation. If you have any troubles installing/compiling/using the software, please contact me. I would be glad to help.
A FOTRAN 90 Numerical library (AFNL) is a set of MODULES containing definitions of Fourier series and polynomials, and able to perform linear (multi-)dimensional fittings, integrals, sorting data, compute roots of functions, and other numerical tasks.
MW and RF Harmonic Balance Simulator
MCF - Models Construct Framework