A pre- and post-processing program for the VASP code
Basic features: 1, Convert POSCAR or CONTCAR to cif or xsf format; 2, Extract the data of DOS and Band; 3, Extract Charge/Spin density (Open with VESTA ); 4, Linear optical properties; 5, Extract Fermi-Surface data; 6, and so on...
CFD (computational fluid dynamics) software. Numerical 2d-solver for compressible ideal gases. Sophisticated turbulence and numerical approach which captures laminar-turbulent transition and aero-acoustic features.
PDFgetN is a program to process total scattering data obtained on neutron time-of-flight powder diffractometers and to obtain the atomic pair distribution function (PDF).
GeoSolid3D produces 3D geologic solid models, incorporated into the aquifer and confining units of the USGS ground water models, Modflow and Sutra. Uses GIS data of DEMs, geologic maps, and maps of river, watershed, recharge, and aquifer parameters.
Any Particle Molecular Orbital (APMO) has been created in order to study nuclear quantum effects. The current version of the APMO code is an implementation of the nuclear orbital and molecular orbital approaches (NMO) at the Hartree-Fock level of the
Computational Environment for Nuclear Structure
DAFNE luminometer GEANT3 simulation, https://twiki.cern.ch/twiki/bin/view/LumiDet/WebHome
DISCUS is a set of programs to simulate the atomic structure of disordered materials and calculate experimental properties such as diffuse scattering or the atomic pair distribution function.
The goal of this library is to allow the creation of graphics in an easy way without having to care about graphic standart. It also make the color interpolation in a proper way and prevent some of the openGL artefacts. It also tries to be coherent ove
InLine Plot with Fortran
This is a Fortran Module that merges the performance of the computation of the Fortran with the power of a Python Package called Matplotlib plot the data computed by your fortran code. It allows you to divide you data into groups of datafiles and each group is stored on its own directory. It allows you to create different types of plotting files such as, PNG file for each datafile and PDF and MPEG files for each group of datafiles. It works with FORMATTED and UNFORMATTED fortran datafiles. When you call the main subroutine in this module which is called FORTPLOT, it creates a python coded file that you can execute it at any time to get the plots and take a decision about continue the run or halt it. So, with multiple nodes machine you can assign a node for running the python coded file created by the Fortran code to get you data plotted.
GOLD is a generalized layer dynamics (coordinate-free) ocean circulation model. It is built on top of the GFDL-FMS software layer that utilizes massively parallel computers.
Simulation of mycelial bacteria that produce antibiotics
A package for isobaric-isothermal molecular dynamics simulations
KDTREE2 is a Fortran 95 module, and a parallel set of C++ classes which implement tree construction and search routines to find near neighbors in a data set. The C++ implementation requires the STL as well as the BOOST C++ library be installed.
NFSIM is FORTRAN program for the simulation of multi-ionic mass transfer in charged Nanofiltration membranes.
The Open Source Risk Engine (OSRE) is a natural hazards loss estimation software.
Open-GMF is an open Ground Water Modeling Framework for hydrogeologists and reservoir engineers. It is an extensible development environment for finite-difference, finite-element, and finite-volume models tailored to specific problems.
The aim of project is creating program environment for solving some integral equations, arising at solving mathematical problems of the diffraction theory.
Tools and programs I have written for various purposes and those used in it.
Trajectory Tracking Scheme (TTS) is a scheme for solving linear advection problem in atmospheric sciences. It is constructed in fully Lagrangian framework. The main focus of TTS is to preserve the discontinuity well.
A set of computational chemistry modules and programs to perform ab initio calculations of various properties of small molecules. The system will use GRID technology for large computations. The system will use C++ and Qt, running on Win32 and Linux
Ein Projekt zur mathematischen Betrachtung moderner kryptographischen Verfahren und von Laplaceschen Fraktalen mit Fraktionellen Ableitungen. Das Projekt ist für die Forschung und nicht für kommerziellen Einsatz gedacht.
Monte Carlo implementation for the "Mobile Charge Densities in Harmonic Oscillators" (MCDHO) Molecular Force Field for Numerical Simulations of Biological Systems
This project looks at the development of a set of generic models (box,chamber, photo-chemical trajectory) to use with the MCM (www.mcm.leeds.ac.uk). The software provides a tailored FORTRAN interface to the CVODE solver (http://www.llnl.gov/CASC/sundials
PGenome, created in C++, contains several tools to analyze genotype frequencies, linkage disequilibrium, association of individual nucleotides and of genotypes and power calculations of minimal allelic and genotypic effects.