Directory: Top/Computers/Programming/Languages/Fortran/Source

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PHASES
Package of Fortran 77 programs to compute phase angles for diffraction data from macromolecular crystals.
http://www.imsb.au.dk/~mok/phases/phases.html
Au.dk ~ Site Info Whois Trace Route RBL Check

Potential Energy Surfaces
By N. Sathyamurthy.
http://home.iitk.ac.in/~nsath/potentials.html
Iitk.ac.in ~ Site Info Whois Trace Route RBL Check

Quantum Mechanics in Chemistry
Fortran code and documentation from the textbook by Jack Simons and Jeff Nichols.
http://www.csm.ornl.gov/comp_chemistry/ChemText.html
Ornl.gov ~ Site Info Whois Trace Route RBL Check

NWChem
Computes the properties of molecular and periodic systems using standard quantum mechanical descriptions of the electronic wavefunction or density. In addition, NWChem has the capability to perform classical molecular dynamics and free energy simulations
http://www.emsl.pnl.gov/docs/nwchem/
Pnl.gov ~ Site Info Whois Trace Route RBL Check

Potential Energy Surfaces
by David Cappelletti.
http://leo.tech.ing.unipg.it/PES/
Unipg.it ~ Site Info Whois Trace Route RBL Check

FORTRAN Programs for the Simulation of Electrochemical Systems
By John Newman.
http://www.cchem.berkeley.edu/jsngrp/fortran.html
Berkeley.edu ~ Site Info Whois Trace Route RBL Check

Fast Newton-Raphson Torsion Angle Minimizer (FANTOM)
Calculates low-energy conformations of polypeptides and proteins, compatible with distance and dihedral angle constraints obtained typically from NMR experiments. Free for academics.
http://bose.utmb.edu/fantom/fm_home.html
Utmb.edu ~ Site Info Whois Trace Route RBL Check

Angular Momentum Coupling Coefficients
Fortran 90 code by Paul Stevenson.
http://personal.ph.surrey.ac.uk/~phs3ps/anglib.f90
Surrey.ac.uk ~ Site Info Whois Trace Route RBL Check

Potential Energy Surfaces
By the research group of Professor George Schatz.
http://www.theory.northwestern.edu/schatz/codes/codes.html
Northwestern.edu ~ Site Info Whois Trace Route RBL Check

Simple Hartree-Fock example
By Paul Stevenson, in Fortran 90.
http://personal.ph.surrey.ac.uk/~phs3ps/simple-hf.html
Surrey.ac.uk ~ Site Info Whois Trace Route RBL Check