Chemistry :: Source Code
Software :: Physics

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.

404 2-D Lattice Monte Carlo - Simulates ferromagnets and anti-ferromagnets.

ABINIT - Finds the total energy, charge density, and electronic structure of systems made of electrons and nuclei, using pseudopotentials and a plane-wave basis.
Meta Description: [ ABINIT is a full-featured software package to calculate the ground state and response functions of crystals and molecules within the Density-Functional Theory framework, using plane waves and pseudopotentials. ]

Adaptive Coordinate Real-space Electronic Structure code (ACRES) - Density-functional theory (DFT) code designed to perform total energy calculations for atoms, molecules, bulk solids and surfaces on parallel computers such as CM-5, IBM SP2 and ORIGIN 2000. These calculations are performed in real space on a grid that is adapted to spatially inhomogeneous cutoff (or resolution) requirements of a given system.

404 Advanced Regional Prediction System (ARPS) - Comprehensive regional to stormscale atmospheric modeling/ prediction system, written in Fortran 90.

ASAD - 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.

500 Assignment of NMR Spectra by Interactive Graphics - Fortran 77 program by Per Kraulis for Silicon Graphics machines, free for academics.

Asterix - Astronomy codes.

Astronomical Image Processing System (AIPS) - Software package for calibration, data analysis, image display, plotting, and a variety of ancillary tasks on astronomical data.

Astronomy Codes from Cococubed - By J.D. Maldonado and F.X. Timmes.

Astrophysics 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.

Atmosphere Model Code - Written in Fortran 90.

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.

Atomic Physics - 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.

404  Dynamical Core - Efficient spectral dynamical core, written in Fortran 77 and primarily designed to run efficiently on small clusters composed of distributed memory computers using MPI. Can be run in two dynamical core versions: either as a dry, adiabatic primitive equations model in pressure coordinates, or as a shallow water equations model.

Bergen Ocean Model (BOM) - Fortran 90 code incorporating modern numerical techniques into ocean modeling. Code and documentation can be obtained from the site.

500 Car-Parrinello - Scalar implementation of the Car-Parrinello algorithm originally prepared as a tutorial tool for the 1997 Spring College in computational Physics at ICTP (Trieste Italy). The code is self-contained, and most of the sources are written in Fortran 77, with only few C functions.

Car-Parrinello Molecular Dynamics (CPMD) - Plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. Its first version was developed by Jurg Hutter at IBM Zurich Research Laboratory starting from the original Car-Parrinello codes. Free for non-profit organizations.
Meta Description: [ The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. ]

Castep - 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, optical spectra and much more. It can also perform molecular dynamics simulations.
Meta Description: [ CASTEP homepage ]

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.
Meta Description: [ The C�SAR Code Package (LA-UR-00-5568, LA-CC-06-027) ]

CIA Opacities of Various Molecular Complexes - Applied to planetary and stellar atmospheres, by Aleksandra Borysow.

CMBFAST - Computes cosmic microwave background anisotropy, polarization and matter power spectra.

Code for Anisotropies in the Microwave Background (CAMB) - Fortran 90 code by Antony Lewis and Antony Challinor.
Meta Description: [ Code for the efficient calculation of CMB anisotropies in all geometries. ]

Community Climate System Model (CCSM) - Fortran 90 code for climate modelling.
Meta Description: [ The CCSM project home page ]

Computational Physics - Fortran 90 and HPF Programs Related to the Book An Introduction to Computational Physics, by Tao Pang, Cambridge University Press (1997).

Computational Physics - Programs from the book by Rubin Landau.

Computational Physics - Codes from course by David Tomanek.

Computational Physics - Codes in Fortran and Basic from book by Steven Koonin and Dawn Meredith.

Computational Quantum Dynamics - Fortran 77 programs by Toshiaki Iitaka.

Computational Quantum Mechanics - Codes for course by Richard M. Martin.

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.

Coulomb Blockade - Model of two tunnel junctions. Each junction has a resistance and a capacitance. By John K. Tomfohr and Otto Sankey.

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.

404 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.
Meta Description: [ CP2K ]

404 CubeWorld - Fortran 90 code by Jim Ferry describing the gravitational field on the surface of a planet-sized cube.
Meta Description: [ Describes the gravitational field on the surface of a planet-sized cube ]

404 Dacapo - Total energy program based on density functional theory. It uses a plane wave basis for the valence electronic states and describes the core-electron interactions with Vanderbilt ultrasoft pseudo-potentials.

DDSCAT - Code by Bruce T. Draine to study the scattering and absorption of light by small particles.

DEGAS 2 - Monte Carlo code for studying neutral transport in plasmas, with emphasis on fusion applications.

Delta Code - 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.
Meta Description: [ The world's largest development and download repository of Open Source code and applications ]

404 Density Functional Theory Library - Codes for density calculations and manipulations, Hooke's atom subroutines, includable files, with parameters and commons, non-interacting kinetic energy, matrix manipulations routines, miscellanous numerical methods, mostly calculus, calculations of potentials and expectation values, and evaluation of approximate XC functionals.

Dimensional Generator - Fortran code to perform dimensional analysis, by Ron Davis.
Meta Description: [ dimensional analysis, source code, source code generation, source code generator, checking, units, units checking, quality assurance, dimensional, Fortran ]

Double-Diffusive Convection Code Using a Pseudo-Spectral Method - Fortran 77 code illustrating the use of spectral methods to solve a nontrivial hydrodynamics problem.

DYNAMO - Library of Fortran 90 modules that has been designed for the simulation of molecular systems using molecular mechanical (MM) and hybrid quantum mechanical (QM)/MM potential energy functions.

404 ElectronicStructure.org - Links to electronic structure codes, many in Fortran.

500 EMLIB - Electromagnetic software in Fortran and C, and related information.

Eta - 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.

404 FGHEVEN - Solves the one-dimensional Schrodinger equation for bound state eigenvalues and eigenfunctions corresponding to a potential V(x).

Fortran 90 Massively Parallel Source Codes for the Cray T3E - Code for the Ising model by Gyorgy Korniss.

FreeSRS - Library of Fortran and Python code to calculate the shock response spectrum.
Meta Description: [ The world's largest development and download repository of Open Source code and applications ]

Gastropod IR RT operator - Fortran 90 library of forward and gradient routines for fast radiative transfer calculations for high spectral resolution infrared satellite sounders.
Meta Description: [ The world's largest development and download repository of Open Source code and applications ]

General Software - Fortran and C programs for processing meteorological and oceanographic data from the Scientific Computing Division of the National Center for Atmospheric Research.

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.

GS2 - Fortran 90 code to study low-frequency turbulence in magnetized plasma.

HEAP - 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.

Horizon Technologies - Code for properties of fluids, materials, and superconductors.

Hydra - Adaptive particle-particle, particle-mesh plus smoothed particle hydrodynamics code.

500 Hypoinverse2000 - Determines earthquake locations and magnitudes from seismic network data like first-arrival P and S arrival times, amplitudes and coda durations.

Introduction to Monte Carlo algorithms - Programs by Werner Krauth for Monte Carlo applied to physics.

Ising Model - Fortran 90 program by Hans-Marc Erkinger for Monte Carlo simulation of the Ising model.

404 JETNET - Neural Network program for jet discrimination and other High Energy Physics triggering situations, by Leif Lonnblad, Carsten Peterson, Hong Pi, and Thorsteinn Rognvaldsson.

Karlsruhe Optimized and Precise Radiative transfer Algorithm (KOPRA) - Fortran 90 code for atmospheric radiative transfer modelling in the mid-infrared spectral range.

404 Kinetic Monte Carlo - Ordering and Vacancy Migration in 2-D Binary Alloy, by D. Johnson.

La-Grange.Net - 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.
Meta Description: [ A database of variable stars program ]

Light Scattering - T-matrix and related codes, by Arturo Quirantes.

Linear Muffin-Tin Orbital (LMTO) programs - Electronic structure codes of Ole Anderson's group.

Mangle - Software to deal accurately and efficiently with complex angular masks of galaxy surveys.
Meta Description: [ mangle: a code to compute the spherical harmonics of an arbitrary angular mask. ]

Materials Algorithm Project (MAP) - Links to programs in material science, many in Fortran.
Meta Description: [ Home Page for the Materials Algorithms Project Website - software for use in the modelling of materials, in the context of materials science and metallurgy. ]

MM5 Community Model - The PSU/NCAR mesoscale model (known as MM5) is a limited-area, nonhydrostatic, terrain-following sigma-coordinate model designed to simulate or predict mesoscale atmospheric circulation. The model is supported by several pre- and post-processing programs, which are referred to collectively as the MM5 modeling system. The MM5 modeling system software is mostly written 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.
Meta Description: [ A site dedicated to the work on the baryon-baryon interaction of the current and former members of the Nijmegen group, concentrating on the nucle... ]

Numerical Methods for Physics - Fortran, Matlab, and C++ codes from by the book by Alejandro L. Garcia.

Numerical Methods in Physics - Fortran 77 and 90 codes by Mladen Rogina, covering ODEs, PDEs, linear algrebra, and other topics.

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.
Meta Description: [ The world's largest development and download repository of Open Source code and applications ]

Octopus - 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.

Parallel Total Energy (PEtot) - Parallel plane wave pseudopotential program for atomistic total energy calculation based on density functional theory. It is designed for large system simulations to be run on large parallel computers like Cray T3E and IBM SP machines at NERSC. It is developed under U.S. Department of Energy fundings and it is a freely distributed public source code.

PARAllel Total Energy Code (Paratec) - Materials science total energy planewave pseudopotential Fortran 90 code, by Andrew Canning.

Parameterized Ionospheric Model (PIM) - Fast global ionospheric and plasmaspheric model based on a combination of the parameterized output of several regional theoretical ionosphere models and an empirical plasmaspheric model.

Particle Physics - 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.

Pencil Code - 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.

PHYSUNITS - Fortran 90 code to check Physical Units and Dimensions, by Grant W. Petty, professor of Atmospheric Oceanic Sciences.

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.

500 Portable University Model of the Atmosphere (PUMA) - Fortran 90 code of Frank Lunkeit and Edilbert Kirk.

Quantum Monte Carlo - Uses the Hirsch-Fye algorithm, implements methods in the paper Dynamical Mean-Field Theory of Strongly Correlated Fermion Systems

Radiative Corrections Helpdesk - Programs to compute radiative corrections in inclusive, semiexclusive and exclusive electron scattering.

Single Crystal and Powder Diffraction - Many Fortran codes -- search for fortran on site.

Soft Matter Simulations - Codes from research presented at a conference on the subject.

404 SOLApack - Fortran 77 code by Rasmus Munk Larsen that implements the subtractive optimally localized averages (SOLA) inversion algorithm. The current version of SOLApack is specifically written to infer the symmetric component of the 2-d solar rotation rate from measured rotational frequency splittings of the eigenmodes of global solar oscillation.

Spectra Code - Red-Green-Blue values for the visible wavelength, by Dan Bruton.

SPHEREPACK 3.1: A Model Development Facility - Collection of Fortran programs to facilitate computer modeling of geophysical processes. The package contains programs for computing certain common differential operators, including divergence, vorticity, gradients, and the Laplacian of both scalar and vector functions.

Supersymmetric Phenomenology (SPheno) - Calculates the SUSY spectrum using low energy data and a user supplied high scale model as input. The spectrum is used to calculate two- and three body decay modes of supersymmetric particle as well as of Higgs bosons. By Werner Porod.

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.

404 TfMin: Minimum time orbit transfer - A Fortran and MATLAB package designed for the numerical solution of continuous 3D minimum time orbit transfer around the Earth.

Theoretical Atomic and Molecular Physics and Astrophysics Group - Codes used in the research of the group.

Tight-Binding Molecular Dynamics - Developed under the auspices of the Department of Defense High Performance Computing Modernization Program.

Trace gas, aerosol, cloud and climate modelers code - By Charlie Zender, professor of Earth System Science.

Treecodes - 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.

TYPHON - 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).
Meta Description: [ The world's largest development and download repository of Open Source code and applications ]

Vanderbilt Ultra-Soft Pseudopotential - Generates pseudopotentials for many elements.

Versatile Advection Code (VAC) - A general software package in Perl and Fortran 90 for hydro- and magnetohydrodynamics. Developed as part of the Massively Parallel Programming, Computational Magneto-Fluid Dynamics project.

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.
Meta Description: [ Sun, Weather & Climate Laboratory at NCAR ]

WHIZARD - Generic Monte-Carlo generator written in Fortran 95 by Wolfgang Kilian for multi-particle processes at high-energy colliders.

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.