Modules is a utility which helps users manage the complex business The file ~/.cshrc is used to customize the user'sĮnvironment if his login shell is /bin/tcsh. The default value of the environmental variable, PATH, is When a user logs out of an interactive session, theįile ~/.bash_logout is executed if it exists. ~/.bash_profile ( anything sent to STDOUT or STDERR.When one access the shell, the following user files are read in if h4 ShellsĪ user may choose between using /bin/bashĪnd /bin/tcsh. ^ "Comments on the "Banned by Gaussian" Website".The information here is applicable to LSU HPC and LONI systems.^ "WATOC discussion on Computational Software"."Software company bans competitive users". "Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis". "Note on an Approximation Treatment form Many-Electron Systems" (PDF). "Optimization of parameters for semiempirical methods I. Journal of the American Chemical Society. Comparative tests of theoretical procedures for studying chemical reactions". "Development and use of quantum molecular models. Pople, Gaussian 70 (Quantum Chemistry Program Exchange, Program No.
Parallel gaussian software software#
They also claim that not licensing competitors is standard practice in the software industry and members of the Gaussian collaboration community have been refused licenses from competing institutions. disputes the accuracy of these descriptions of its policy and actions, noting that all of the listed institutions do in fact have licenses for everyone but directly competing researchers. The controversy was also noted in 1999 by Chemical and Engineering News (repeated without additional content in 2004), and in 2000, the World Association of Theoretically Oriented Chemists Scientific Board held a referendum of its executive board members on this issue with a majority (23 of 28) approving the resolution opposing the restrictive licenses. These assertions were repeated by Jim Giles in 2004 in Nature. The anonymous group has published a list of scientists whom it claims are not permitted to use GAUSSIAN software. Some scientists consider these terms overly restrictive. has attracted controversy for its licensing terms that stipulate that researchers who develop competing software packages are not permitted to use the software. These were unofficial, unverified ports of the program to other computer platforms.
Other programs named 'Gaussian XX' were placed among the holdings of the Quantum Chemistry Program Exchange. Gaussian 70, Gaussian 76, Gaussian 80, Gaussian 82, Gaussian 86, Gaussian 88, Gaussian 90, Gaussian 92, Gaussian 92/DFT, Gaussian 94, and Gaussian 98, Gaussian 03, Gaussian 09, Gaussian 16.
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