Ghemical [SEP] programming language
Ghemical
Ghemical is a computational chemistry software package written in C++ and released under the GNU General Public License. The program has graphical user interface based on GTK+2 and supports quantum mechanical and molecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools. Ghemical relies on external code to provide the quantum-mechanical calculations — MOPAC provides the semi-empirical MNDO, MINDO, AM1, and PM3 methods, and MPQC methods based on Hartree–Fock calculations.
The chemical expert system is
- Tools for data rescue and system repair
- Network analysis and administration tools
- OpenOffice.org
- Kile, Lyx
Additionally, some of the scientific applications/programs in Quantian are such like:
- R, statistical computing software
- Octave, a Matlab clone
- Scilab, another Matlab clone
- GSL, GNU Scientific Library
- Maxima computer algebra system
- Python programming language with Scipy
- Fityk curve fitter
- Ghemical for computational chemistry
- Texmacs for wysiwyg scientific editing
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