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Programming Guide


Programming Guide: Languages: Fortran: Source Code: Physics
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ABINIT
Finds the total energy, charge density, and electronic structure of systems made of electrons and nuclei, using pseudopotentials and a plane-wave basis.
url: www.abinit.org/

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.
url: cst-www.nrl.navy.mil/~singh/acres/info.html

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.
url: www.atm.ch.cam.ac.uk/acmsu/asad/index.html

Assignment of NMR Spectra by Interactive Graphics
Fortran 77 program by Per Kraulis for Silicon Graphics machines, free for academics.
url: www-ccmr-nmr.bioc.cam.ac.uk/public/ANSIG/ansig.htm...

Asterix
Astronomy codes.
url: www.sr.bham.ac.uk/asterix-docs/Programmer/Source/c...

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.
url: www.star.ucl.ac.uk/~rhdt/download/

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.
url: airs2.ssec.wisc.edu/~paulv/

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.
url: www.nd.edu/~johnson/phys607.html

BOB "Built On Beowulf" 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.
url: www.scd.ucar.edu/css/dynamical_cores/

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.
url: www.cineca.it/~acv0/CP/carpar_pub_new.html

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.
url: www.cpmd.org/cpmd.html

CGS_constants
Fortran 90 code by Dale Ostlie containing up-to-date physical and astronomical constants and identifying the correct kind parameters for the current machine.
url: physics.weber.edu/ostlie/phsx2300/Misc/constants/s...

CIA Opacities of Various Molecular Complexes
Applied to planetary and stellar atmospheres, by Aleksandra Borysow.
url: www.astro.ku.dk/~aborysow/programs/

CMBFAST
Computes cosmic microwave background anisotropy, polarization and matter power spectra.
url: cmbfast.org/

Code for Anisotropies in the Microwave Background (CAMB)
Fortran 90 code by Antony Lewis and Antony Challinor.
url: camb.info

Computational Physics
Fortran 90 codes from course by Dale Ostlie.
url: physics.weber.edu/ostlie/phsx3300/lecture.html

Computational Physics
Codes in Fortran and Basic from book by Steven Koonin and Dawn Meredith.
url: www.computationalphysics.info/

Computational Physics
Fortran 77 codes by J. M. Thijssen to accompany his book.
url: www.cp.tn.tudelft.nl/people/thijssen/book/progdir....

Computational Physics
Fortran 90 and HPF Programs Related to the Book "An Introduction to Computational Physics", by Tao Pang, Cambridge University Press (1997).
url: www.physics.unlv.edu/~pang/cp_f90.html

Computational Physics
Codes from course by David Tomanek.
url: computation.pa.msu.edu/phy480/

Computational Physics
Programs from the book by Rubin Landau.
url: www.physics.orst.edu/~rubin/CPbook/PROGS/F_PROGS/

Computational Physics Resource on the Internet
Provides links to physics computer codes, mostly in Fortran. Compiled by Zhao Ji-jun.
url: www.physics.unc.edu/~zhaoj/compphys.htm

Computational Quantum Dynamics
Fortran 77 programs by Toshiaki Iitaka.
url: atlas.riken.go.jp/~iitaka/programs/quantum/

Computational Quantum Mechanics
Codes for course by Richard M. Martin.
url: www.physics.uiuc.edu/research/ElectronicStructure/...

Computer Programming and Computational Science
Fortran 90 codes from course.
url: www-user.tu-chemnitz.de/~arr/ruhuna/

Computer Simulation Methods in Physics
Fortran 90 codes for course taught by Ari Harju.
url: www.fyslab.hut.fi/kurssit/Tfy-3.475/

Coulomb Blockade
Model of two tunnel junctions. Each junction has a resistance and a capacitance. By John K. Tomfohr and Otto Sankey.
url: phyastweb.la.asu.edu/atofs/moltronics/index.htm

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.
url: cp2k.berlios.de/

CubeWorld
Fortran 90 code by Jim Ferry describing the gravitational field on the surface of a planet-sized cube.
url: www.csar.uiuc.edu/~jferry/cube/CubeWorld.html#down...

2-D Lattice Monte Carlo
Simulates ferromagnets and anti-ferromagnets.
url: bguy.mse.uiuc.edu/matse390/2D_MC/index.html

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.
url: www.fysik.dtu.dk/campos/Dacapo/

DDSCAT
Code by Bruce T. Draine to study the scattering and absorption of light by small particles.
url: www.astro.princeton.edu/~draine/DDSCAT.6.0.html

DEGAS 2
Monte Carlo code for studying neutral transport in plasmas, with emphasis on fusion applications.
url: w3.pppl.gov/degas2/

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.
url: crab.rutgers.edu/~dft/lib/

DFTGWA
Codes for ab-initio electronic structure calculations, especially for LMTO, GW, and LAPW.
url: al1.phys.sci.osaka-u.ac.jp/indexecal.shtml

Dimensional Generator
Fortran code to perform dimensional analysis, by Ron Davis.
url: www.magma.ca/~davises/Software/Dimensional_Generat...

Double-Diffusive Convection Code Using a Pseudo-Spectral Method
Fortran 77 code illustrating the use of spectral methods to solve a nontrivial hydrodynamics problem.
url: sdcd.gsfc.nasa.gov/ESS/exchange/contrib/deane/ddco...

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.
url: www.ibs.fr/ext/labos/LDM/projet6/

FGHEVEN
Solves the one-dimensional Schrodinger equation for bound state eigenvalues and eigenfunctions corresponding to a potential V(x).
url: www.tlchm.bris.ac.uk/dynamics/fghqcpe.for

F77xml
C library designed to provide DOM parsing functionality to Fortran 77. It acts as a wrapper to gdome2 library.
url: icbe61.unife.it/f77xml/

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.
url: gulp.curtin.edu.au/

Goddard Institute of Space Studies
Code for climate modeling, radiation, and astrophysics.
url: www.giss.nasa.gov/tools/

GS2
Fortran 90 code to study low-frequency turbulence in magnetized plasma.
url: gs2.sourceforge.net/

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.
url: www2.cs.uh.edu/~johnsson/heap.html

Horizon Technologies
Code for properties of fluids, materials, and superconductors.
url: www.htess.com/softpricing

Hydra
Adaptive particle-particle, particle-mesh plus smoothed particle hydrodynamics code.
url: coho.physics.mcmaster.ca/hydra/

Hypoinverse2000
Determines earthquake locations and magnitudes from seismic network data like first-arrival P and S arrival times, amplitudes and coda durations.
url: www.geol.vt.edu/outreach/vtso/anonftp/iasphand/85_...

Introduction to Monte Carlo algorithms
Programs by Werner Krauth for Monte Carlo applied to physics.
url: www.lps.ens.fr/~krauth/Intro/programs.html

Ising Model
Fortran 90 program by Hans-Marc Erkinger for Monte Carlo simulation of the Ising model.
url: itp.tu-graz.ac.at/~erkinger/plaquettes.f90

JETNET
Neural Network program for jet discrimination and other High Energy Physics triggering situations, by Leif Lonnblad, Carsten Peterson, Hong Pi, and Thorsteinn Rognvaldsson.
url: www-dapnia.cea.fr/Spp/Experiences/OPAL/opalcern/nn...

Kinetic Monte Carlo
Ordering and Vacancy Migration in 2-D Binary Alloy, by D. Johnson.
url: bguy.mse.uiuc.edu/matse390/KMC/2DAlloy/

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.
url: www.la-grange.net/astro/vr.html

Light Scattering
T-matrix and related codes, by Arturo Quirantes.
url: www.ugr.es/~aquiran/codigos.htm

Linear Muffin-Tin Orbital (LMTO) programs
Electronic structure codes of Ole Anderson's group.
url: www.mpi-stuttgart.mpg.de/andersen

Materials Algorithm Project (MAP)
Links to programs in material science, many in Fortran.
url: www.msm.cam.ac.uk/map/map.html

Molecular dynamics programs in Fortran 90
By Furio Ercolessi.
url: www.fisica.uniud.it/~ercolessi/md/f90/

Nucleon-Nucleon Potential Models
Fortran 77, 90, and C codes.
url: nn-online.sci.kun.nl/fortran/nn/

Numerical Methods for Physics
Fortran, Matlab, and C++ codes from by the book by Alejandro L. Garcia.
url: www.prenhall.com/garcia2/Programs2E.html

Numerical Methods in Physics
Fortran 77 and 90 codes by Mladen Rogina, covering ODEs, PDEs, linear algrebra, and other topics.
url: cromath.math.hr/~rogina/nmf/nmf.html

Numerical Relativity
Fortran 77 and 90 codes by Joan Masso.
url: jean-luc.aei-potsdam.mpg.de/Codes/Examples/

PARAllel Total Energy Code (Paratec)
Materials science total energy planewave pseudopotential Fortran 90 code, by Andrew Canning.
url: www.nersc.gov/research/SCG/Andrew/man4/man4.html

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.
url: crd.lbl.gov/~linwang/PEtot/PEtot.html

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.
url: www.cpi.com/products/pim/pim.html

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
url: www.physics.orst.edu/~rubin/codes/

Parton Distribution Functions (High Energy Physics)
Code for CTEQ, GRV, MRS, and ALEKHIN distributions.
url: durpdg.dur.ac.uk/HEPDATA/PDF

Physics Projects from the Technions, Optics
Several are implemented in Fortran.
url: phycomp.technion.ac.il/~comphy/technion_projects.h...

PHYSUNITS
Fortran 90 code to check Physical Units and Dimensions, by Grant W. Petty, professor of Atmospheric & Oceanic Sciences.
url: meso.aos.wisc.edu/~gpetty/physunits.html

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.
url: www.pwscf.org/

Portable University Model of the Atmosphere (PUMA)
Fortran 90 code of Frank Lunkeit and Edilbert Kirk.
url: puma.dkrz.de/puma/download/

Quantum Monte Carlo
Uses the Hirsch-Fye algorithm, implements methods in the paper "Dynamical Mean-Field Theory of Strongly Correlated Fermion Systems".
url: www.physics.rutgers.edu/~udo/qmc.html

Radiative Corrections Helpdesk
Programs to compute radiative corrections in inclusive, semiexclusive and exclusive electron scattering.
url: www.jlab.org/RC/

Soft Matter Simulations
Codes from research presented at a conference on the subject.
url: www.lce.hut.fi/research/polymer/softsimu2002/softw...

Spectra Code
Red-Green-Blue values for the visible wavelength, by Dan Bruton.
url: www.physics.sfasu.edu/astro/color/spectra.html

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.
url: www.scd.ucar.edu/css/software/spherepack/

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.
url: www-theorie.physik.unizh.ch/~porod/SPheno.html

Surface Meteorology Data Center (COARE-MET)
Codes to calculate bulk fluxes for the Coupled Ocean Atmosphere Response Experiment.
url: www.coaps.fsu.edu/COARE/

Teaching Fortran to Physics Majors
Codes by Aleksandar Donev and Phillip Duxbury for course.
url: computation.pa.msu.edu/phy201/

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.
url: www.enseeiht.fr/lima/apo/tfmin/

Theoretical Atomic and Molecular Physics and Astrophysics Group
Codes used in the research of the group.
url: www.tampa.phys.ucl.ac.uk/ftp/vr

Tight-Binding Molecular Dynamics
Developed under the auspices of the Department of Defense High Performance Computing Modernization Program.
url: cst-www.nrl.navy.mil/bind/dodtb/index.html

Trace gas, aerosol, cloud and climate modelers code
By Charlie Zender, professor of Earth System Science.
url: www.ess.uci.edu/~zender/

Treecodes
Forran 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.
url: newton.physics.swarthmore.edu/research/Parallel/

Vanderbilt Ultra-Soft Pseudopotential
Generates pseudopotentials for many elements.
url: www.physics.rutgers.edu/~dhv/uspp/

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.
url: cms.mpi.univie.ac.at/vasp/

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.  
url: exodus.physics.ucla.edu/vizexhibit/Mainpage.html

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.
url: www.coaps.fsu.edu/woce/html/wcdtools.htm


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