Fortran Source Codes for Chemistry

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  • CCL Fortran  - Collection of computation chemistry-related programs includes sources and ReadMe files.
  • Combustion Simulations  - Contains archive of source codes for mechanism and chemical kinetic software.
  • Computational Chemistry  - Features Icon-edit and Bicon-CEdit Fortran programs, with sources, examples, manuals, and brief descriptions.
  • Dalton  - Molecular electronic structure program provides manual, notes, and patch release.
  • Dirac Program Package  - Shows Fortran code for molecular computation tutorials with examples, manuals, and version release.
  • Fantom  - Fast Newton-Raphson Torison Angle Minimizer includes source code and sample chapters.
  • graphatom  - Presents program for electronic energy and atom density computations. Provides sample script and plot, and source code.
  • Natural Bond Orbital  - Describes NBO Macintosh and Gaussian versions. Includes FAQs, tutorials and sample codes, manual, and keywords with figures.
  • Projector Augmented Wave  - Electronic structure computation contains manuscripts, notes, user guide, and source code versions.
  • Quantum Mechanics in Chemistry  - Contains ReadMe files, source codes, and input and output examples based from the book.
  • Schatz  - Chemistry professor provides archives of publications and research with project source codes.
  • Simulation of Electrochemical Systems  - Contains Fortran language-written programs for various simulations.
  • University of Western Australia Theoretical Chemistry: Tonto  - Freeware package for calculations provides version release, feature list, and test jobs with scripts.
  • Wien2k  - Electron structure performance computations with highlight list, software requirements, FAQs, and example codes.
 
 
 
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