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Computers: Programming: Languages: Fortran: Source Code: Chemistry
Science: Physics: Software
- Finds the total energy, charge density, and electronic structure of systems made of electrons and nuclei, using pseudopotentials and a plane-wave basis.
- Package for creating and integrating chemistry schemes in atmospheric models without the need to write any Fortran code to solve the chemical rate equations. Developed by Dr. Glenn Carver and Dr. Paul Brown (assisted by Dr. Oliver Wild) of the Centre for Atmospheric Science, Cambridge University, UK.
ASC Center for Astrophysical Thermonuclear Flashes
- Simulator code for solving nuclear astrophysical problems related to exploding stars. This website contains information about the astrophysics, the code, and related basic physics and computer science efforts.
- Astronomy codes.
- BRUCE and KYLIE are Fortran 77 codes by Rich Townsend which calculate synthetic spectra for stars undergoing non-radial pulsation (NRP). TLUSTY and SYNSPEC are Fortran 77 codes by Ivan Hubeny and Thierry Lanz for calculating synthetic plane-parallel stellar atmospheres and associated spectra, respectively.
Atmospherics physics code
- Code for a Radiative Transfer Model (RTM), RTM Coefficient Assembly, Infrared Sea Surface Emissivity (IRSSE), EmisCoeff utility, Emissivity utility, Planck functions, Profile utility, SensorInfo utility, SpcCoeff utility, and SRF utility.
- Codes from a course by Walter Johnson. Mod_pot.f determines the parameters in a model potential for an atom with one valence electron. Nrhf.f calculates nonrelativistic Hartree-Fock wave functions for closed-shell atoms.
Bergen Ocean Model (BOM)
- Fortran 90 code incorporating modern numerical techniques into ocean modeling. Code and documentation can be obtained from the site.
- Fortran 90 code using density functional theory to provide a good atomic-level description of all manner of materials and molecules. Castep can give information about total energies, forces and stresses on an atomic system, as well as calculating optimum geometries, band structures, and optical spectra. It can also perform molecular dynamics simulations.
CERN Program Library
- Large collection of general purpose libraries and modules in Fortran and C developed at CERN, oriented towards the needs of a physics research laboratory: general mathematics, data analysis, and detector simulation.
CIA Opacities of Various Molecular Complexes
- Applied to planetary and stellar atmospheres, by Aleksandra Borysow.
Code for Anisotropies in the Microwave Background (CAMB)
- Fortran 90 code by Antony Lewis and Antony Challinor.
Community Climate System Model (CCSM)
- Fortran 90 code for climate modelling.
- Fortran 90 and HPF Programs Related to the Book "An Introduction to Computational Physics", by Tao Pang, Cambridge University Press (1997).
- Codes from course by David Tomanek.
Computational Quantum Dynamics
- Fortran 77 programs by Toshiaki Iitaka.
Computer Simulation Methods in Physics
- Fortran 90 codes for course taught by Ari Harju.
Computer Simulation of Liquids
- Fortran code from the book by M.P. Allen and D. Tildesley.
Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS)
- Used operationally by the U.S. Navy for short-term numerical weather prediction for various regions around the world. Parts of the code can be downloaded from the site, with registration.
CP2K: Atomistic Simulations
- Fortran 95 modules to do atomistic and molecular simulations of solid state, liquid, molecular and biological systems. The methods included range from first principles ab initio density functional methods to parametrised, classical pair- and many-body potentials.
CÆSAR Code Package
- Computational physics development environment written in Fortran 90. It provides an environment where the physics of real systems can be modeled, by discretizing a set of partial differential equations on a mesh and solving the resultant algebraic system.
- Total energy program based on density functional theory. Uses a plane wave basis for the valence electronic states and describes the core-electron interactions with Vanderbilt ultrasoft pseudo-potentials. Includes manual, examples, tutorials, and source code.
- Code by Bruce T. Draine to study the scattering and absorption of light by small particles.
- Monte Carlo code for studying neutral transport in plasmas, with emphasis on fusion applications.
- Nonlinear aeroelastic solver written in Fortran 90. At the moment only vortex lattice aerodynamics are available, but the hope is for a higher fidelity aerodynamic model to be developed for use in the current code.
- Routines for density functional theory, including density calculations and manipulations, Hooke's atom, non-interacting kinetic energy, approximate XC functionals, matrix manipulation, and miscellaneous numerical functions.
- Fortran code to perform dimensional analysis, by Ron Davis.
- Weather forecasting code in Fortran 90. Source code can be requested from the site.
EXCITING FP-LAPW Code
- Full-potential linearised augmented-planewave (FP-LAPW) Fortran 90 code. Written mainly at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as developer friendly as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably. The code is freely available under the GNU General Public License.
- Solves the one-dimensional Schrödinger equation for bound state eigenvalues and eigenfunctions corresponding to a potential V(x). By F. Gogtas, G.G. Balint-Kurti and C.C. Marston.
Flexible Image Transport System (FITS) Library Package
- Performs various useful functions associated with FITS image files.
Fortran 90 Massively Parallel Source Codes for the Cray T3E
- Code for the Ising model by Gyorgy Korniss.
- Library of Fortran and Python code to calculate the shock response spectrum.
- Fortran 90 library of forward and gradient routines for fast radiative transfer calculations for the advanced infrared sounders.
Gastropod IR RT operator
- Fortran 90 library of forward and gradient routines for fast radiative transfer calculations for high spectral resolution infrared satellite sounders.
General Utility Lattice Program (GULP)
- Performs a variety of types of simulation on 3D periodic solids, gas phase clusters and isolated defects in a bulk material. In particular GULP is designed to handle both molecular solids and ionic materials through the use of the shell model. One difference between GULP and other similar programs is that symmetry is used for solids to accelerate the calculations and to simplify the input. Freely available to academics only.
Goddard Institute of Space Studies
- Code for climate modeling, radiation, and astrophysics.
- Fortran 90 code to study low-frequency turbulence in magnetized plasma.
- Fortran 90 and High Performance Fortran code implementing nonadaptive and adaptive O(N) hierarchical N-body methods in 3-D for gravitational and electrostatic fields.
- Code for properties of fluids, materials, and superconductors.
- Adaptive particle-particle, particle-mesh plus smoothed particle hydrodynamics code.
- Determines earthquake locations and magnitudes from seismic network data like first-arrival P and S arrival times, amplitudes and coda durations.
Karlsruhe Optimized and Precise Radiative transfer Algorithm (KOPRA)
- Fortran 90 code for atmospheric radiative transfer modelling in the mid-infrared spectral range.
- Has programs from Gaspani for spectral analysis, GENSYS for general synthesis of light curves and line profiles for close binary systems, WINK for eclipsing binary curve prediction, and WUMA for generating line-broadening profiles.
- T-matrix and related codes, by Arturo Quirantes.
Linear Muffin-Tin Orbital (LMTO) programs
- Electronic structure codes of Ole Anderson's group.
- Software to deal accurately and efficiently with complex angular masks of galaxy surveys.
Materials Algorithm Project (MAP)
- Links to programs in material science, many in Fortran.
Molecular dynamics programs in Fortran 90
- By Furio Ercolessi.
NCEP Regional Spectral Model
- Limited-area atmospheric model using spectral method for computation, written in Fortran 77.
Next-to-Leading-Order Quantum Chromodynamics (NLO QCD)
- EVENT2 is a program for two- and three-jet events in e+e- annihilation. DISENT is a program for (1+1)- and (2+1)-jet events in deep inelastic scattering. GBOOK creates line graphs.
Nucleon-Nucleon Potential Models
- Fortran 77, 90, and C codes.
Numerical Methods for Physics
- Fortran, Matlab, and C++ codes from by the book by Alejandro L. Garcia.
OceanModel NetCDF Tools
- Fortran tools to write standardized NetCDF output for a variety of ocean circulation models. The files contain required metadata to be compatible with DMACS standards. A C++ particle trajectory tool reads NetCDF files to make particle paths.
- Fortran 90 program for ab initio virtual experimentation on a range of systems. Electrons are described quantum-mechanically within the Density-Functional Theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.
- LPOTT: Pion-Nucleus Scattering; PiN: Chiral Color Dielectric Quark Model for pi-Nucleon Interactions; and LPOTp: Polarized Proton Scattering from Polarized Nuclei, in Parallel, by Rubin Landau
Parton Distribution Functions (High Energy Physics)
- Code for CTEQ, GRV, MRS, and ALEKHIN distributions.
- High-order finite-difference Fortran 90 code for compressible hydrodynamic flows with magnetic fields. It is highly modular and can easily be adapted to different types of problems. The code runs efficiently under MPI on massively parallel shared- or distributed-memory computers, like e.g. large Beowulf clusters.
Physics Projects from the Technions, Optics
- Several are implemented in Fortran.
Plane-Wave Self-Consistent Field (PWscf)
- Programs for electronic structure calculations within Density-Functional Theory and Density-Functional Perturbation Theory, using a Plane-Wave basis set and pseudopotentials. PWscf is released under the GNU General Public License.
Quantum Monte Carlo
- Uses the Hirsch-Fye algorithm, implements methods in the paper "Dynamical Mean-Field Theory of Strongly Correlated Fermion Systems".
Solar Activity & Heliospheric Dynamics
- FCTMHD3D solves magnetohydrodynamics problems in three spatial dimensions, using positivity- and monotonicity-preserving FCT techniques in a finite-volume representation. CRUNCH3D-T3D and CRUNCH3D-T3E are high-performance codes for solving the viscoresistive equations of dissipative MHD, using high-fidelity Fourier collocation techniques. LCPFCT2 and MHDFCT2 solve the generalized continuity and hydromagnetic equations of hydrodynamics and MHD in two spatial dimensions, using FCT techniques.
- Red-Green-Blue values for the visible wavelength, by Dan Bruton.
Surface Meteorology Data Center (COARE-MET)
- Codes to calculate bulk fluxes for the Coupled Ocean Atmosphere Response Experiment.
Teaching Fortran to Physics Majors
- Codes by Aleksandar Donev and Phillip Duxbury for course.
Trace gas, aerosol, cloud and climate modelers code
- By Charlie Zender, professor of Earth System Science.
- Fortran 90 code by Daniel Reinganum program to evolve a self-gravitating N-body system, using a hierarchical O(N log N) algorithm to compute gravitational forces.
- Computational Fluid Dynamics solver aimed to solve multi-physics problems with unstructured finite volume methods will be able to use dynamical refinement and MPI-based parallel processing (Fortran-90-based, uses BLAS, LAPACK, CGNS libraries).
Vanderbilt Ultra-Soft Pseudopotential
- Generates pseudopotentials for many elements.
Vienna Ab-Initio Simulation Package (VASP)
- Performs ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The approach implemented in VAMP/VASP is based on a finite-temperature local-density approximation (with the free energy as variational quantity) and an exact evaluation of the instantaneous electronic ground state at each MD-step using efficient matrix diagonalization schemes and an efficient Pulay mixing.
Visualization: Understanding Science
- Exhibit on visualization of concepts from high school physics. The scientific data is generated on a UNIX workstation by a Fortran 90 program (provided at the site) and then exported to an Apple Macintosh.
Weather Research and Forecasting Model
- Fortran 95 code for real-time weather forecasts.
World Ocean Circulation Experiment
- Code to read NetCDF, convert the minute timestamp from ship data provided by WOCE-MET back into a standard year/month/day/hour/minute time, convert a standard year/month/day/hour/minute time into the minute timestamp from ship data provided by WOCE-MET, and compute meteorological true winds.
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