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2009 - now and maybe till I die...
"Sometimes good is more than adequate." [Henry F. Schaefer III]
Dedicated to coffee - the cause and ease of many of my sleepless nights.

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General
Motivation
Feature List
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General:

  • Code Features:
    • the current version is restricted to LINUX OS!
    • published under the GPL v.3
    • HTML user manual
    • HTML source code documentation
    • tested with the latest GNU, clang (llvm), OpenMPI and Intel compiler
    • provides a set of convenient (3rd-party) tools related to the main code
    • automated installation script, resolving all dependencies
    • optional support of OpenMP (GNU, clang) and OpenKMP (Intel)
    • optional support of MPI, tested with mpich2 and OpenMPI

  • Limited capability:
    • the QuMuLuS++ project is an academic code
    • you are welcome to use it, but be reminded that it is limited in its capability
    • the code is steadily improved, but since there is no funding for this project, the author is more focused on his other duties...

Motivation:

  • Shared knowledge:
    • The core of this code was written as part of the author's Ph.D. thesis. Its original intention was to provide a fast and efficient code on the one hand, but also an understandable and well documented code for the training of his own knowledge of applied quantum mechanics, and of others. It is among the author's big hopes, that this code may be of interest and use to other scientists, although the presence of much more eligible and potent programs might easily shatter such dreams to the most.

  • Free access:
    • QuMuLuS++ is open source code and distributed under the GNU General Public Licence GPL version 3. A copy of this licence is shipped with the code and a respective reminder is included in each source file.

  • Academic usage:
    • Considering the original motivation of the QuMuLuS++ project, the author would like to encourage professors, and students as well, to use this code for adapting their own knowledge and skills, and to train others in the wonderful art that is molecular electronic structure theory.

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