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- Gfortran is the name of the GNU Fortran project, developing a free Fortran 95/2003/2008 compiler for GCC, the GNU Compiler Collection. The gfortran development effort uses an open development environment in order to attract a larger team of developers and to ensure that gfortran can work on multiple architectures and diverse environments. This wiki contains links to binary packages for gfortran, up-to-date status of the compiler, recently fixed bugs, etc. You can find here our "getting started" web page for new users of gfortran. · http://gcc.gnu.org/wiki/GFortran3 months and 5 days agoby drmatusek1
- Nitro PDF's PrimoPDF is a free tool that converts all kinds of files into PDFs that you can open, edit, and manage with your usual PDF application (Nitro has a free reader, too, if you don't already have one). · http://download.cnet.com/PrimoPDF/3000-18497_4-10264577.html3 months and 5 days agoby drmatusek1
- Gnuplot is a portable command-line driven graphing utility for Linux, OS/2, MS Windows, OSX, VMS, and many other platforms. The source code is copyrighted but freely distributed (i.e., you don't have to pay for it). It was originally created to allow scientists and students to visualize mathematical functions and data interactively, but has grown to support many non-interactive uses such as web scripting. It is also used as a plotting engine by third-party applications like Octave. Gnuplot has been supported and under active development since 1986. · http://www.gnuplot.info/3 months and 5 days agoby drmatusek14
- REDUCE is a system for doing scalar, vector and matrix algebra by computer, which also supports arbitrary precision numerical approximation and interfaces to gnuplot to provide graphics. It can be used interactively for simple calculations (as illustrated in the screenshot above) but also provides a full programming language, with a syntax similar to other modern programming languages. · http://reduce-algebra.sourceforge.net/5 months and 2 days agoby drmatusek1
- HTML LaTeX equation editor that creates graphical equations (gif, png, swf, pdf, emf). Produces code for directly embedding equations into HTML websites, forums or blogs. Images may also be dragged into other applications like Word. Open source and XHTML compliant. · http://www.codecogs.com/latex/eqneditor.phpa year agoby drmatusek7
- POTLIB is an online library of global and semiglobal potential energy surface subprograms for calculating Born-Oppenheimer energies as a function of nuclear geometry. The library currently features more than 250 potential energy routines for a wide range of chemical systems. Our goal is to facilitate chemical dynamics research by collecting and disseminating a comprehensive collection of state-of-the-art potential energy routines (developed by a wide, international group of researchers) with systematic and well-defined interfaces for use with chemical dynamics programs. · http://comp.chem.umn.edu/potlib/a year and 2 months agoby drmatusek1
- A help site with guides on working with Linux in general, and Debian Linux in particular. · http://www.aboutdebian.com/a year and 2 months agoby drmatusek4
- Established in 1969 the CPC Program Library now contains more than 2200 programs in computational physics and chemistry. Papers describing the programs are published in the Computer Physics Communications Journal and are available online via Science Direct. · http://cpc.cs.qub.ac.uk/cpchome.htmla year and 2 months agoby drmatusek1
- This database provides style files (bst and sty) for use with LaTeX documents using BibTeX or AMSrefs to manage the bibliography. The styles are referenced by the academic journals to which they apply. · http://bst.maururu.net/a year and 2 months agoby drmatusek2
- Open source freeware SFTP, SCP and FTP client for Windows. Has a good GUI. · http://winscp.net/eng/index.phpa year and 2 months agoby drmatusek6
- LaTeX is a high-quality typesetting system; it includes features designed for the production of technical and scientific documentation. LaTeX is the de facto standard for the communication and publication of scientific documents. LaTeX is available as free software. · http://www.latex-project.org/a year and 2 months agoby drmatusek28
- An open-source applications and software directory (quite large). · http://sourceforge.net/a year and 2 months agoby drmatusek55
- Eclipse is an open-source community project that is focused on building an extensible development platform: a suite of software tools that assist in the writing of software. Primarily it is used as a Java integrated development environment (IDE) but has been adapted for many other languages including python, C, C++, and FORTRAN. · http://www.eclipse.org/a year and 2 months agoby drmatusek32
- Subversion is a popular, free version control system for the development of software. · http://subversion.apache.org/a year and 2 months agoby drmatusek5
- The Collected Algorithms (CALGO) is part of a family of publications produced by the ACM. Software associated with papers published in the Transactions on Mathematical Software, as well as other ACM journals are incorporated in CALGO. · http://calgo.acm.org/a year and 2 months agoby drmatusek5
- A cross-index and virtual repository of mathematical and statistical software components of use in computational science and engineering. · http://gams.nist.gov/a year and 2 months agoby drmatusek5
- The ATLAS (Automatically Tuned Linear Algebra Software) project is an ongoing research effort focusing on applying empirical techniques in order to provide portable performance. At present, it provides C and Fortran77 interfaces to a portably efficient BLAS implementation, as well as a few routines from LAPACK. · http://math-atlas.sourceforge.net/a year and 2 months agoby drmatusek2
- Netlib is a collection of mathematical software, papers, and databases. · http://www.netlib.org/a year and 2 months agoby drmatusek9
- SciPy is open-source software for mathematics, science, and engineering. The SciPy library depends on NumPy, which provides convenient and fast N-dimensional array manipulation. The SciPy library is built to work with NumPy arrays, and provides many user-friendly and efficient numerical routines such as routines for numerical integration and optimization. Together, they run on all popular operating systems, are quick to install, and are free of charge. If you need to manipulate numbers on a computer and display or publish the results, give SciPy a try! · http://www.scipy.org/a year and 2 months agoby drmatusek15
- Sage is a free, open-source mathematics software system licensed under the GPL. It combines the power of many existing open-source packages into a common, Python-based interface. The project goal is to create a viable free, open source alternative to Magma, Maple, Mathematica and Matlab. · http://www.sagemath.org/a year and 2 months agoby drmatusek22

- Andreas W. Götz, Matthew A. Clark, and Ross C. Walker.
*Journal of Computational Chemistry**35(2):95--108*(*January 2014*)2 months and 29 days agoby drmatusek1 - Sébastien Canneaux, Frédéric Bohr, and Eric Henon.
*Journal of Computational Chemistry**35(1):82--93*(*January 2014*)2 months and 29 days agoby drmatusek1 - Yuan-Pin Chang, Frank Filsinger, Boris G. Sartakov, and Jochen Küpper.
*Computer Physics Communications**185(1):339 - 349*(*January 2014*)3 months and 3 days agoby drmatusek2 - A. Arbona, A. Artigues, C. Bona-Casas, J. Massó, B. Miñano, A. Rigo, M. Trias, and C. Bona.
*Computer Physics Communications**184(10):2321 - 2331*(*October 2013*)7 months agoby drmatusek2 - Mark P. Waller, Thomas Dresselhaus, and Jack Yang.
*Journal of Computational Chemistry**34(16):1420--1428*(*June 2013*)10 months agoby drmatusek2 - Hans Lischka, Thomas Müller, Péter G. Szalay, Isaiah Shavitt, Russell M. Pitzer, and Ron Shepard.
*Wiley Interdisciplinary Reviews: Computational Molecular Science**1(2):191--199*(*March 2011*)11 months agoby drmatusek1 - Hans Petter Langtangen.
*Texts in Computational Science and Engineering**Springer-Verlag,**Berlin,**Second edition,*(*2006*)a year agoby drmatusek1 - Noel O'Boyle, Michael Banck, Craig James, Chris Morley, Tim Vandermeersch, and Geoffrey Hutchison.
*Journal of Cheminformatics**3(1):33*(*October 2011*)a year and 3 months agoby drmatusek5 - R. Chudoba, V. Sadílek, R. Rypl, and M. Vořechovský.
*Computer Physics Communications**184(2):414 - 427*(*February 2013*)a year and 4 months agoby drmatusek1 - René Pool, Jaap Heringa, Martin Hoefling, Roland Schulz, Jeremy C. Smith, and K. Anton Feenstra.
*Journal of Computational Chemistry**33(12):1207--1214*(*May 2012*)2 years agoby drmatusek2 - K.T. Vu, G.F. Jefferson, and J. Carminati.
*Computer Physics Communications**183(4):1044 - 1054*(*April 2012*)2 years and 2 months agoby drmatusek2 - Péter G. Szalay, Thomas Müller, Gergely Gidofalvi, Hans Lischka, and Ron Shepard.
*Chemical Reviews**112(1):108-181*(*January 2012*)2 years and 2 months agoby drmatusek1 - Yezhi Lin, Yinping Liu, and Zhibin Li.
*Computer Physics Communications**183(1):106 - 117*(*January 2012*)2 years and 5 months agoby drmatusek1 - Gerald Knizia, Wenbin Li, Sven Simon, and Hans-Joachim Werner.
*Journal of Chemical Theory and Computation**7(8):2387-2398*(*August 2011*)2 years and 8 months agoby drmatusek1 - Stephan Deublein, Bernhard Eckl, Jürgen Stoll, Sergey V. Lishchuk, Gabriela Guevara-Carrion, Colin W. Glass, Thorsten Merker, Martin Bernreuther, Hans Hasse, and Jadran Vrabec.
*Computer Physics Communications**182(11):2350 - 2367*(*November 2011*)2 years and 8 months agoby drmatusek2 - Christoph R. Jacob, S. Maya Beyhan, Rosa E. Bulo, André Severo Pereira Gomes, Andreas W. Götz, Karin Kiewisch, Jetze Sikkema, and Lucas Visscher.
*Journal of Computational Chemistry**32(10):2328--2338*(*July 2011*)2 years and 9 months agoby drmatusek1 - Michael P. Barnett, and Joseph F. Capitani.
*Computer Physics Communications**177(12):944 - 950*(*2007*)2 years and 9 months agoby drmatusek2

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